4-amino-1-[(4-chlorophenyl)methyl]piperidine-4-carboxylic acid

C13H17ClN2O2 — CID 3044628

IUPAC4-amino-1-[(4-chlorophenyl)methyl]piperidine-4-carboxylic acid
SMILESNC1(C(=O)O)CCN(Cc2ccc(Cl)cc2)CC1
InChIInChI=1S/C13H17ClN2O2/c14-11-3-1-10(2-4-11)9-16-7-5-13(15,6-8-16)12(17)18/h1-4H,5-9,15H2,(H,17,18)
InChIKeyABDIXVFLGWCHDW-UHFFFAOYSA-N
MW268.74 g/mol
LogP1.72
Rot. Bonds3

About 4-amino-1-[(4-chlorophenyl)methyl]piperidine-4-carboxylic acid

4-amino-1-[(4-chlorophenyl)methyl]piperidine-4-carboxylic acid (PubChem CID 3044628) has the molecular formula C13H17ClN2O2 and a molecular weight of 268.74 g/mol. Its IUPAC name is 4-amino-1-[(4-chlorophenyl)methyl]piperidine-4-carboxylic acid.

Molecular Properties

Compound Name4-amino-1-[(4-chlorophenyl)methyl]piperidine-4-carboxylic acid
PubChem CID3044628
Molecular FormulaC13H17ClN2O2
Molecular Weight268.74 g/mol
Exact Mass268.10
IUPAC Name4-amino-1-[(4-chlorophenyl)methyl]piperidine-4-carboxylic acid
SMILESNC1(C(=O)O)CCN(Cc2ccc(Cl)cc2)CC1
InChIInChI=1S/C13H17ClN2O2/c14-11-3-1-10(2-4-11)9-16-7-5-13(15,6-8-16)12(17)18/h1-4H,5-9,15H2,(H,17,18)
InChIKeyABDIXVFLGWCHDW-UHFFFAOYSA-N
XLogP1.72
TPSA66.56 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.74
LogP ≤ 51.72
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-amino-1-[(4-chlorophenyl)methyl]piperidine-4-carboxylic acid?
The IUPAC name of 4-amino-1-[(4-chlorophenyl)methyl]piperidine-4-carboxylic acid (CID 3044628) is 4-amino-1-[(4-chlorophenyl)methyl]piperidine-4-carboxylic acid.
What is the SMILES notation for 4-amino-1-[(4-chlorophenyl)methyl]piperidine-4-carboxylic acid?
The canonical SMILES for 4-amino-1-[(4-chlorophenyl)methyl]piperidine-4-carboxylic acid is NC1(C(=O)O)CCN(Cc2ccc(Cl)cc2)CC1.
What is the InChIKey of 4-amino-1-[(4-chlorophenyl)methyl]piperidine-4-carboxylic acid?
The InChIKey is ABDIXVFLGWCHDW-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17ClN2O2/c14-11-3-1-10(2-4-11)9-16-7-5-13(15,6-8-16)12(17)18/h1-4H,5-9,15H2,(H,17,18).
What are the key properties of 4-amino-1-[(4-chlorophenyl)methyl]piperidine-4-carboxylic acid?
4-amino-1-[(4-chlorophenyl)methyl]piperidine-4-carboxylic acid has a molecular weight of 268.74 g/mol, XLogP of 1.72, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-1-[(4-chlorophenyl)methyl]piperidine-4-carboxylic acid is sourced from PubChem (CID 3044628), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).