1-[(4-chlorophenyl)methyl]-4-(4-phenylphenoxy)piperidine

C24H24ClNO — CID 174434003

IUPAC1-[(4-chlorophenyl)methyl]-4-(4-phenylphenoxy)piperidine
SMILESClc1ccc(CN2CCC(Oc3ccc(-c4ccccc4)cc3)CC2)cc1
InChIInChI=1S/C24H24ClNO/c25-22-10-6-19(7-11-22)18-26-16-14-24(15-17-26)27-23-12-8-21(9-13-23)20-4-2-1-3-5-20/h1-13,24H,14-18H2
InChIKeyHNOLYOQVIMKGMD-UHFFFAOYSA-N
MW377.92 g/mol
LogP6.05
Rot. Bonds5

About 1-[(4-chlorophenyl)methyl]-4-(4-phenylphenoxy)piperidine

1-[(4-chlorophenyl)methyl]-4-(4-phenylphenoxy)piperidine (PubChem CID 174434003) has the molecular formula C24H24ClNO and a molecular weight of 377.92 g/mol. Its IUPAC name is 1-[(4-chlorophenyl)methyl]-4-(4-phenylphenoxy)piperidine.

Molecular Properties

Compound Name1-[(4-chlorophenyl)methyl]-4-(4-phenylphenoxy)piperidine
PubChem CID174434003
Molecular FormulaC24H24ClNO
Molecular Weight377.92 g/mol
Exact Mass377.15
IUPAC Name1-[(4-chlorophenyl)methyl]-4-(4-phenylphenoxy)piperidine
SMILESClc1ccc(CN2CCC(Oc3ccc(-c4ccccc4)cc3)CC2)cc1
InChIInChI=1S/C24H24ClNO/c25-22-10-6-19(7-11-22)18-26-16-14-24(15-17-26)27-23-12-8-21(9-13-23)20-4-2-1-3-5-20/h1-13,24H,14-18H2
InChIKeyHNOLYOQVIMKGMD-UHFFFAOYSA-N
XLogP6.05
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500377.92
LogP ≤ 56.05
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

1-[(4-chlorophenyl)-phenylmethyl]-4-[[4-(1-propan-2-ylpiperidin-4-yl)oxyphenyl]methyl]piperazine
CID 44523966
4-(4-chlorophenoxy)-1-ethylpiperidine;ethane
CID 143698369
N-[[6-[1-[(4-chlorophenyl)methyl]piperidin-4-yl]oxy-3-pyridinyl]methyl]-4-phenylbenzamide
CID 46190747
4-[[4-(4-methylphenoxy)piperidin-1-yl]methyl]pyridine
CID 90245740
1-[[4-(4-chlorophenyl)phenyl]methyl]-4-(6-cyclopentyloxynaphthalen-2-yl)sulfanylpiperazine
CID 142599229
4-[(4-chlorophenyl)methyl]-6-phenoxy-1,4-oxazepane
CID 162808656
4-[[4-(4-cyanophenoxy)piperidin-1-yl]methyl]benzoic acid
CID 122028993
5-[(4-phenoxypiperidin-1-yl)methyl]-2-pyrrolidin-1-ylpyridine
CID 138042107
2-[4-[[(3S)-3-phenoxypyrrolidin-1-yl]methyl]phenoxy]acetic acid
CID 125441615
4-(1-benzylpyrrolidin-3-yl)oxybenzonitrile
CID 62917204
1-[(4-phenylphenyl)methyl]pyrrolidin-3-amine
CID 62068870
1-[(4-chlorophenyl)methyl]piperidin-4-ol
CID 764482

Frequently Asked Questions

What is the IUPAC name of 1-[(4-chlorophenyl)methyl]-4-(4-phenylphenoxy)piperidine?
The IUPAC name of 1-[(4-chlorophenyl)methyl]-4-(4-phenylphenoxy)piperidine (CID 174434003) is 1-[(4-chlorophenyl)methyl]-4-(4-phenylphenoxy)piperidine.
What is the SMILES notation for 1-[(4-chlorophenyl)methyl]-4-(4-phenylphenoxy)piperidine?
The canonical SMILES for 1-[(4-chlorophenyl)methyl]-4-(4-phenylphenoxy)piperidine is Clc1ccc(CN2CCC(Oc3ccc(-c4ccccc4)cc3)CC2)cc1.
What is the InChIKey of 1-[(4-chlorophenyl)methyl]-4-(4-phenylphenoxy)piperidine?
The InChIKey is HNOLYOQVIMKGMD-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H24ClNO/c25-22-10-6-19(7-11-22)18-26-16-14-24(15-17-26)27-23-12-8-21(9-13-23)20-4-2-1-3-5-20/h1-13,24H,14-18H2.
What are the key properties of 1-[(4-chlorophenyl)methyl]-4-(4-phenylphenoxy)piperidine?
1-[(4-chlorophenyl)methyl]-4-(4-phenylphenoxy)piperidine has a molecular weight of 377.92 g/mol, XLogP of 6.05, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(4-chlorophenyl)methyl]-4-(4-phenylphenoxy)piperidine is sourced from PubChem (CID 174434003), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).