CAS
90131-22-9 Purity
96%
90131-22-9 Purity
96%
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1-[(2-Fluorophenyl)methyl]-4-piperidinecarboxylic acid
CAS
901313-43-7
Catalog Number
ACM901313437
Category
Other Products
Molecular Weight
237.270043 [g/mol]
Molecular Formula
C13H16FNO2
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Specification
Synonyms
1-(2-fluorobenzyl)piperidine-4-carboxylic acid, STK354949, 1-[(2-fluorophenyl)methyl]piperidine-4-carboxylic Acid, 901313-43-7, AC1N0RYP, SBB074548, AKOS005429420, MCULE-2390771625, AK-53581, KB-08376, BB 0254208, 1-(2-Fluoro-benzyl)-piperidine-4-carboxylic acid
IUPAC Name
1-[(2-fluorophenyl)methyl]piperidine-4-carboxylic acid
Canonical SMILES
C1CN(CCC1C(=O)O)CC2=CC=CC=C2F
InChI Key
AXIKZGILESDOKQ-UHFFFAOYSA-N
Exact Mass
237.11700
H-Bond Acceptor
4
H-Bond Donor
1
What is the molecular formula of the compound with PubChem CID 3942648?
The molecular formula is C13H16FNO2.
What is the molecular weight of the compound?
The molecular weight is 237.27 g/mol.
What is the IUPAC name of the compound?
The IUPAC name is 1-[(2-fluorophenyl)methyl]piperidine-4-carboxylic acid.
What is the Canonical SMILES representation of the compound?
The Canonical SMILES is C1CN(CCC1C(=O)O)CC2=CC=CC=C2F.
How many hydrogen bond donor counts does the compound have?
The compound has 1 hydrogen bond donor count.
What is the XLogP3-AA value of the compound?
The XLogP3-AA value is -0.4.
How many hydrogen bond acceptor counts does the compound have?
The compound has 4 hydrogen bond acceptor counts.
What is the topological polar surface area of the compound?
The topological polar surface area is 40.5 Ų.
How many rotatable bond counts does the compound have?
The compound has 3 rotatable bond counts.
Is the compound canonicalized in PubChem?
Yes, the compound is canonicalized in PubChem.
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