1-[2-[(4-chlorophenyl)-phenylmethoxy]ethyl]piperidine

C20H24ClNO — CID 2805

IUPAC1-[2-[(4-chlorophenyl)-phenylmethoxy]ethyl]piperidine
SMILESClc1ccc(C(OCCN2CCCCC2)c2ccccc2)cc1
InChIInChI=1S/C20H24ClNO/c21-19-11-9-18(10-12-19)20(17-7-3-1-4-8-17)23-16-15-22-13-5-2-6-14-22/h1,3-4,7-12,20H,2,5-6,13-16H2
InChIKeyFLNXBVJLPJNOSI-UHFFFAOYSA-N
MW329.87 g/mol
LogP4.93
Rot. Bonds6

About 1-[2-[(4-chlorophenyl)-phenylmethoxy]ethyl]piperidine

1-[2-[(4-chlorophenyl)-phenylmethoxy]ethyl]piperidine (PubChem CID 2805) has the molecular formula C20H24ClNO and a molecular weight of 329.87 g/mol. Its IUPAC name is 1-[2-[(4-chlorophenyl)-phenylmethoxy]ethyl]piperidine.

Molecular Properties

Compound Name1-[2-[(4-chlorophenyl)-phenylmethoxy]ethyl]piperidine
PubChem CID2805
Molecular FormulaC20H24ClNO
Molecular Weight329.87 g/mol
Exact Mass329.15
IUPAC Name1-[2-[(4-chlorophenyl)-phenylmethoxy]ethyl]piperidine
SMILESClc1ccc(C(OCCN2CCCCC2)c2ccccc2)cc1
InChIInChI=1S/C20H24ClNO/c21-19-11-9-18(10-12-19)20(17-7-3-1-4-8-17)23-16-15-22-13-5-2-6-14-22/h1,3-4,7-12,20H,2,5-6,13-16H2
InChIKeyFLNXBVJLPJNOSI-UHFFFAOYSA-N
XLogP4.93
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 ≤ 54.93
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

Clemastine
CID 26987
Diphenylpyraline
CID 3103
Chlorphenoxamine
CID 6475
Diphenylpyraline Hydrochloride
CID 66063
Eliprodil
CID 60703
Cloperastine Hydrochloride
CID 161104
Clobenztropine
CID 1687
Clofenetamine
CID 71812
2-[2-[1-(4-Chlorophenyl)-1-phenylethoxy]ethyl]-1-methylpyrrolidine
CID 2781
Chlorphenoxamine Hydrochloride
CID 11223
SL 6057
CID 203135
Mecloxamine
CID 3045406

Frequently Asked Questions

What is the IUPAC name of 1-[2-[(4-chlorophenyl)-phenylmethoxy]ethyl]piperidine?
The IUPAC name of 1-[2-[(4-chlorophenyl)-phenylmethoxy]ethyl]piperidine (CID 2805) is 1-[2-[(4-chlorophenyl)-phenylmethoxy]ethyl]piperidine.
What is the SMILES notation for 1-[2-[(4-chlorophenyl)-phenylmethoxy]ethyl]piperidine?
The canonical SMILES for 1-[2-[(4-chlorophenyl)-phenylmethoxy]ethyl]piperidine is Clc1ccc(C(OCCN2CCCCC2)c2ccccc2)cc1.
What is the InChIKey of 1-[2-[(4-chlorophenyl)-phenylmethoxy]ethyl]piperidine?
The InChIKey is FLNXBVJLPJNOSI-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24ClNO/c21-19-11-9-18(10-12-19)20(17-7-3-1-4-8-17)23-16-15-22-13-5-2-6-14-22/h1,3-4,7-12,20H,2,5-6,13-16H2.
What are the key properties of 1-[2-[(4-chlorophenyl)-phenylmethoxy]ethyl]piperidine?
1-[2-[(4-chlorophenyl)-phenylmethoxy]ethyl]piperidine has a molecular weight of 329.87 g/mol, XLogP of 4.93, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-[(4-chlorophenyl)-phenylmethoxy]ethyl]piperidine is sourced from PubChem (CID 2805), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).