3-[1-(5-chloro-2-cyanophenyl)piperidin-4-yl]propanoic acid

C15H17ClN2O2 — CID 63081906

IUPAC3-[1-(5-chloro-2-cyanophenyl)piperidin-4-yl]propanoic acid
SMILESN#Cc1ccc(Cl)cc1N1CCC(CCC(=O)O)CC1
InChIInChI=1S/C15H17ClN2O2/c16-13-3-2-12(10-17)14(9-13)18-7-5-11(6-8-18)1-4-15(19)20/h2-3,9,11H,1,4-8H2,(H,19,20)
InChIKeyQWWPFRFRNSYPPC-UHFFFAOYSA-N
MW292.77 g/mol
LogP3.29
Rot. Bonds4

About 3-[1-(5-chloro-2-cyanophenyl)piperidin-4-yl]propanoic acid

3-[1-(5-chloro-2-cyanophenyl)piperidin-4-yl]propanoic acid (PubChem CID 63081906) has the molecular formula C15H17ClN2O2 and a molecular weight of 292.77 g/mol. Its IUPAC name is 3-[1-(5-chloro-2-cyanophenyl)piperidin-4-yl]propanoic acid.

Molecular Properties

Compound Name3-[1-(5-chloro-2-cyanophenyl)piperidin-4-yl]propanoic acid
PubChem CID63081906
Molecular FormulaC15H17ClN2O2
Molecular Weight292.77 g/mol
Exact Mass292.10
IUPAC Name3-[1-(5-chloro-2-cyanophenyl)piperidin-4-yl]propanoic acid
SMILESN#Cc1ccc(Cl)cc1N1CCC(CCC(=O)O)CC1
InChIInChI=1S/C15H17ClN2O2/c16-13-3-2-12(10-17)14(9-13)18-7-5-11(6-8-18)1-4-15(19)20/h2-3,9,11H,1,4-8H2,(H,19,20)
InChIKeyQWWPFRFRNSYPPC-UHFFFAOYSA-N
XLogP3.29
TPSA64.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.77
LogP ≤ 53.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-[1-(5-chloro-2-cyanophenyl)piperidin-3-yl]propanoic acid
CID 63083625
3-[1-(3-bromo-4-cyano-2-fluorophenyl)piperidin-4-yl]propanoic acid
CID 107532828
3-[1-(5-chloro-2-methylphenyl)pyrrolidin-3-yl]propanoic acid
CID 117002604
ethyl 1-(5-chloro-2-cyanophenyl)piperidine-4-carboxylate
CID 63083153
1-(5-chloro-2-cyanophenyl)-4-ethylpiperidine-2-carboxylic acid
CID 114427574
3-[1-(2-cyano-6-methylphenyl)piperidin-4-yl]propanoic acid
CID 107106077
5-chloro-2-(4-ethylpiperidin-1-yl)benzonitrile
CID 55078571
3-[1-[(5-chloro-2-fluorophenyl)methyl]piperidin-4-yl]propanoic acid
CID 114866899
3-[1-(4-bromo-2-fluorophenyl)piperidin-4-yl]propanoic acid
CID 175918832
3-[1-(2-cyano-4-pyridinyl)piperidin-4-yl]propanoic acid
CID 62924471
4-[2-(4-chloro-2-cyanophenoxy)ethyl]piperidine-1-carboxylic acid
CID 123553778
3-[1-(4-chloro-2-fluorobenzoyl)piperidin-4-yl]propanoic acid
CID 62218001

Frequently Asked Questions

What is the IUPAC name of 3-[1-(5-chloro-2-cyanophenyl)piperidin-4-yl]propanoic acid?
The IUPAC name of 3-[1-(5-chloro-2-cyanophenyl)piperidin-4-yl]propanoic acid (CID 63081906) is 3-[1-(5-chloro-2-cyanophenyl)piperidin-4-yl]propanoic acid.
What is the SMILES notation for 3-[1-(5-chloro-2-cyanophenyl)piperidin-4-yl]propanoic acid?
The canonical SMILES for 3-[1-(5-chloro-2-cyanophenyl)piperidin-4-yl]propanoic acid is N#Cc1ccc(Cl)cc1N1CCC(CCC(=O)O)CC1.
What is the InChIKey of 3-[1-(5-chloro-2-cyanophenyl)piperidin-4-yl]propanoic acid?
The InChIKey is QWWPFRFRNSYPPC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17ClN2O2/c16-13-3-2-12(10-17)14(9-13)18-7-5-11(6-8-18)1-4-15(19)20/h2-3,9,11H,1,4-8H2,(H,19,20).
What are the key properties of 3-[1-(5-chloro-2-cyanophenyl)piperidin-4-yl]propanoic acid?
3-[1-(5-chloro-2-cyanophenyl)piperidin-4-yl]propanoic acid has a molecular weight of 292.77 g/mol, XLogP of 3.29, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[1-(5-chloro-2-cyanophenyl)piperidin-4-yl]propanoic acid is sourced from PubChem (CID 63081906), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).