1-[(4-chlorophenyl)methyl]-3-(phenylmethoxymethyl)piperidine

C20H24ClNO — CID 56764601

IUPAC1-[(4-chlorophenyl)methyl]-3-(phenylmethoxymethyl)piperidine
SMILESClc1ccc(CN2CCCC(COCc3ccccc3)C2)cc1
InChIInChI=1S/C20H24ClNO/c21-20-10-8-17(9-11-20)13-22-12-4-7-19(14-22)16-23-15-18-5-2-1-3-6-18/h1-3,5-6,8-11,19H,4,7,12-16H2
InChIKeyJJCXOIKXBNSVTC-UHFFFAOYSA-N
MW329.87 g/mol
LogP4.77
Rot. Bonds6

About 1-[(4-chlorophenyl)methyl]-3-(phenylmethoxymethyl)piperidine

1-[(4-chlorophenyl)methyl]-3-(phenylmethoxymethyl)piperidine (PubChem CID 56764601) has the molecular formula C20H24ClNO and a molecular weight of 329.87 g/mol. Its IUPAC name is 1-[(4-chlorophenyl)methyl]-3-(phenylmethoxymethyl)piperidine.

Molecular Properties

Compound Name1-[(4-chlorophenyl)methyl]-3-(phenylmethoxymethyl)piperidine
PubChem CID56764601
Molecular FormulaC20H24ClNO
Molecular Weight329.87 g/mol
Exact Mass329.15
IUPAC Name1-[(4-chlorophenyl)methyl]-3-(phenylmethoxymethyl)piperidine
SMILESClc1ccc(CN2CCCC(COCc3ccccc3)C2)cc1
InChIInChI=1S/C20H24ClNO/c21-20-10-8-17(9-11-20)13-22-12-4-7-19(14-22)16-23-15-18-5-2-1-3-6-18/h1-3,5-6,8-11,19H,4,7,12-16H2
InChIKeyJJCXOIKXBNSVTC-UHFFFAOYSA-N
XLogP4.77
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.87
LogP ≤ 54.77
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-[(4-chlorophenyl)methyl]-3-(phenylmethoxymethyl)piperidine?
The IUPAC name of 1-[(4-chlorophenyl)methyl]-3-(phenylmethoxymethyl)piperidine (CID 56764601) is 1-[(4-chlorophenyl)methyl]-3-(phenylmethoxymethyl)piperidine.
What is the SMILES notation for 1-[(4-chlorophenyl)methyl]-3-(phenylmethoxymethyl)piperidine?
The canonical SMILES for 1-[(4-chlorophenyl)methyl]-3-(phenylmethoxymethyl)piperidine is Clc1ccc(CN2CCCC(COCc3ccccc3)C2)cc1.
What is the InChIKey of 1-[(4-chlorophenyl)methyl]-3-(phenylmethoxymethyl)piperidine?
The InChIKey is JJCXOIKXBNSVTC-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24ClNO/c21-20-10-8-17(9-11-20)13-22-12-4-7-19(14-22)16-23-15-18-5-2-1-3-6-18/h1-3,5-6,8-11,19H,4,7,12-16H2.
What are the key properties of 1-[(4-chlorophenyl)methyl]-3-(phenylmethoxymethyl)piperidine?
1-[(4-chlorophenyl)methyl]-3-(phenylmethoxymethyl)piperidine has a molecular weight of 329.87 g/mol, XLogP of 4.77, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(4-chlorophenyl)methyl]-3-(phenylmethoxymethyl)piperidine is sourced from PubChem (CID 56764601), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).