4-(4-chlorophenoxy)-1-(3-phenylpropyl)piperidine-4-carboxylic acid

C21H24ClNO3 — CID 70736989

IUPAC4-(4-chlorophenoxy)-1-(3-phenylpropyl)piperidine-4-carboxylic acid
SMILESO=C(O)C1(Oc2ccc(Cl)cc2)CCN(CCCc2ccccc2)CC1
InChIInChI=1S/C21H24ClNO3/c22-18-8-10-19(11-9-18)26-21(20(24)25)12-15-23(16-13-21)14-4-7-17-5-2-1-3-6-17/h1-3,5-6,8-11H,4,7,12-16H2,(H,24,25)
InChIKeyIPKNFHIXEOJRTO-UHFFFAOYSA-N
MW373.88 g/mol
LogP4.27
Rot. Bonds7

About 4-(4-chlorophenoxy)-1-(3-phenylpropyl)piperidine-4-carboxylic acid

4-(4-chlorophenoxy)-1-(3-phenylpropyl)piperidine-4-carboxylic acid (PubChem CID 70736989) has the molecular formula C21H24ClNO3 and a molecular weight of 373.88 g/mol. Its IUPAC name is 4-(4-chlorophenoxy)-1-(3-phenylpropyl)piperidine-4-carboxylic acid.

Molecular Properties

Compound Name4-(4-chlorophenoxy)-1-(3-phenylpropyl)piperidine-4-carboxylic acid
PubChem CID70736989
Molecular FormulaC21H24ClNO3
Molecular Weight373.88 g/mol
Exact Mass373.14
IUPAC Name4-(4-chlorophenoxy)-1-(3-phenylpropyl)piperidine-4-carboxylic acid
SMILESO=C(O)C1(Oc2ccc(Cl)cc2)CCN(CCCc2ccccc2)CC1
InChIInChI=1S/C21H24ClNO3/c22-18-8-10-19(11-9-18)26-21(20(24)25)12-15-23(16-13-21)14-4-7-17-5-2-1-3-6-17/h1-3,5-6,8-11H,4,7,12-16H2,(H,24,25)
InChIKeyIPKNFHIXEOJRTO-UHFFFAOYSA-N
XLogP4.27
TPSA49.77 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500373.88
LogP ≤ 54.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-(4-chlorophenoxy)-1-(3-phenylpropyl)piperidine-4-carboxylic acid?
The IUPAC name of 4-(4-chlorophenoxy)-1-(3-phenylpropyl)piperidine-4-carboxylic acid (CID 70736989) is 4-(4-chlorophenoxy)-1-(3-phenylpropyl)piperidine-4-carboxylic acid.
What is the SMILES notation for 4-(4-chlorophenoxy)-1-(3-phenylpropyl)piperidine-4-carboxylic acid?
The canonical SMILES for 4-(4-chlorophenoxy)-1-(3-phenylpropyl)piperidine-4-carboxylic acid is O=C(O)C1(Oc2ccc(Cl)cc2)CCN(CCCc2ccccc2)CC1.
What is the InChIKey of 4-(4-chlorophenoxy)-1-(3-phenylpropyl)piperidine-4-carboxylic acid?
The InChIKey is IPKNFHIXEOJRTO-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H24ClNO3/c22-18-8-10-19(11-9-18)26-21(20(24)25)12-15-23(16-13-21)14-4-7-17-5-2-1-3-6-17/h1-3,5-6,8-11H,4,7,12-16H2,(H,24,25).
What are the key properties of 4-(4-chlorophenoxy)-1-(3-phenylpropyl)piperidine-4-carboxylic acid?
4-(4-chlorophenoxy)-1-(3-phenylpropyl)piperidine-4-carboxylic acid has a molecular weight of 373.88 g/mol, XLogP of 4.27, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-chlorophenoxy)-1-(3-phenylpropyl)piperidine-4-carboxylic acid is sourced from PubChem (CID 70736989), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).