4-[3-(4-chlorophenyl)propyl]piperidine-1-carboxylic acid

C15H20ClNO2 — CID 67084616

IUPAC4-[3-(4-chlorophenyl)propyl]piperidine-1-carboxylic acid
SMILESO=C(O)N1CCC(CCCc2ccc(Cl)cc2)CC1
InChIInChI=1S/C15H20ClNO2/c16-14-6-4-12(5-7-14)2-1-3-13-8-10-17(11-9-13)15(18)19/h4-7,13H,1-3,8-11H2,(H,18,19)
InChIKeyCIBJFDXHADMWFR-UHFFFAOYSA-N
MW281.78 g/mol
LogP4.05
Rot. Bonds4

About 4-[3-(4-chlorophenyl)propyl]piperidine-1-carboxylic acid

4-[3-(4-chlorophenyl)propyl]piperidine-1-carboxylic acid (PubChem CID 67084616) has the molecular formula C15H20ClNO2 and a molecular weight of 281.78 g/mol. Its IUPAC name is 4-[3-(4-chlorophenyl)propyl]piperidine-1-carboxylic acid.

Molecular Properties

Compound Name4-[3-(4-chlorophenyl)propyl]piperidine-1-carboxylic acid
PubChem CID67084616
Molecular FormulaC15H20ClNO2
Molecular Weight281.78 g/mol
Exact Mass281.12
IUPAC Name4-[3-(4-chlorophenyl)propyl]piperidine-1-carboxylic acid
SMILESO=C(O)N1CCC(CCCc2ccc(Cl)cc2)CC1
InChIInChI=1S/C15H20ClNO2/c16-14-6-4-12(5-7-14)2-1-3-13-8-10-17(11-9-13)15(18)19/h4-7,13H,1-3,8-11H2,(H,18,19)
InChIKeyCIBJFDXHADMWFR-UHFFFAOYSA-N
XLogP4.05
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.78
LogP ≤ 54.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

4-(3-phenylpropyl)piperidine-1-carboxylic acid
CID 67759674
4-[4-(4-chlorophenyl)butyl]piperazine-1-carboxylic acid
CID 69457869
2-chloro-1-[4-(3-phenylpropyl)piperidin-1-yl]ethanone
CID 19961796
4-[2-(4-tert-butylphenyl)ethyl]piperidine-1-carboxylic acid
CID 174516040
phenyl-[4-(3-phenylpropyl)piperidin-1-yl]methanone
CID 168948503
4-[[(4-chlorophenyl)methylsulfonylamino]methyl]piperidine-1-carboxylic acid
CID 174678128
3-[1-[2-(4-chlorophenyl)acetyl]piperidin-4-yl]propanoic acid
CID 62215948
6-bromo-1-[4-(3-phenylpropyl)piperidin-1-yl]hexan-1-one
CID 70078879
7-bromo-1-[4-(3-phenylpropyl)piperidin-1-yl]heptan-1-one
CID 70078088
1-[4-[(4-chlorophenyl)methyl]piperidin-1-yl]-2,2-dimethylpropan-1-one
CID 142714451
1-[3-(4-chlorophenyl)propanoyl]piperidine-4-carboxylic acid
CID 45341294
1-chloro-4-[4-(4-pentylcyclohexyl)butyl]benzene
CID 18965949

Frequently Asked Questions

What is the IUPAC name of 4-[3-(4-chlorophenyl)propyl]piperidine-1-carboxylic acid?
The IUPAC name of 4-[3-(4-chlorophenyl)propyl]piperidine-1-carboxylic acid (CID 67084616) is 4-[3-(4-chlorophenyl)propyl]piperidine-1-carboxylic acid.
What is the SMILES notation for 4-[3-(4-chlorophenyl)propyl]piperidine-1-carboxylic acid?
The canonical SMILES for 4-[3-(4-chlorophenyl)propyl]piperidine-1-carboxylic acid is O=C(O)N1CCC(CCCc2ccc(Cl)cc2)CC1.
What is the InChIKey of 4-[3-(4-chlorophenyl)propyl]piperidine-1-carboxylic acid?
The InChIKey is CIBJFDXHADMWFR-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20ClNO2/c16-14-6-4-12(5-7-14)2-1-3-13-8-10-17(11-9-13)15(18)19/h4-7,13H,1-3,8-11H2,(H,18,19).
What are the key properties of 4-[3-(4-chlorophenyl)propyl]piperidine-1-carboxylic acid?
4-[3-(4-chlorophenyl)propyl]piperidine-1-carboxylic acid has a molecular weight of 281.78 g/mol, XLogP of 4.05, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[3-(4-chlorophenyl)propyl]piperidine-1-carboxylic acid is sourced from PubChem (CID 67084616), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).