3-[(4-chlorophenyl)methoxy]-1-(4-phenylphenyl)piperidine

C24H24ClNO — CID 174433975

IUPAC3-[(4-chlorophenyl)methoxy]-1-(4-phenylphenyl)piperidine
SMILESClc1ccc(COC2CCCN(c3ccc(-c4ccccc4)cc3)C2)cc1
InChIInChI=1S/C24H24ClNO/c25-22-12-8-19(9-13-22)18-27-24-7-4-16-26(17-24)23-14-10-21(11-15-23)20-5-2-1-3-6-20/h1-3,5-6,8-15,24H,4,7,16-18H2
InChIKeyCXLBCUNMIQGROF-UHFFFAOYSA-N
MW377.92 g/mol
LogP6.19
Rot. Bonds5

About 3-[(4-chlorophenyl)methoxy]-1-(4-phenylphenyl)piperidine

3-[(4-chlorophenyl)methoxy]-1-(4-phenylphenyl)piperidine (PubChem CID 174433975) has the molecular formula C24H24ClNO and a molecular weight of 377.92 g/mol. Its IUPAC name is 3-[(4-chlorophenyl)methoxy]-1-(4-phenylphenyl)piperidine.

Molecular Properties

Compound Name3-[(4-chlorophenyl)methoxy]-1-(4-phenylphenyl)piperidine
PubChem CID174433975
Molecular FormulaC24H24ClNO
Molecular Weight377.92 g/mol
Exact Mass377.15
IUPAC Name3-[(4-chlorophenyl)methoxy]-1-(4-phenylphenyl)piperidine
SMILESClc1ccc(COC2CCCN(c3ccc(-c4ccccc4)cc3)C2)cc1
InChIInChI=1S/C24H24ClNO/c25-22-12-8-19(9-13-22)18-27-24-7-4-16-26(17-24)23-14-10-21(11-15-23)20-5-2-1-3-6-20/h1-3,5-6,8-15,24H,4,7,16-18H2
InChIKeyCXLBCUNMIQGROF-UHFFFAOYSA-N
XLogP6.19
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 ≤ 56.19
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

3-[(4-chlorophenyl)methoxy]-1-methylpiperidine
CID 59165688
2-(3-phenylmethoxypiperidin-1-yl)aniline
CID 172691855
4-ethyl-6-[(3R)-3-phenylmethoxypiperidin-1-yl]pyrimidine
CID 97200713
3-methoxy-1-phenylpiperidine
CID 70382121
1-(2-nitrophenyl)-3-phenylmethoxypiperidine
CID 166130248
3-[(4-chlorophenyl)methoxy]cyclohexan-1-amine
CID 79466104
(3S)-3-phenoxy-1-phenylpiperidine
CID 153196970
3-azabicyclo[3.2.2]nonan-3-yl-[4-(3-phenylmethoxypyrrolidin-1-yl)phenyl]methanone
CID 24957914
1-[[4-[4-(cyclopentyloxymethyl)phenyl]phenyl]methyl]piperidin-4-ol
CID 126674939
2-methyl-6-(3-phenylmethoxypiperidin-1-yl)pyrimidin-4-amine
CID 72915583
1-[(4-chlorophenyl)methyl]-4-(4-phenylphenoxy)piperidine
CID 174434003
(2,4-dichlorophenyl)-[(3R)-3-[(4-methylphenyl)methoxy]piperidin-1-yl]methanone
CID 93223338

Frequently Asked Questions

What is the IUPAC name of 3-[(4-chlorophenyl)methoxy]-1-(4-phenylphenyl)piperidine?
The IUPAC name of 3-[(4-chlorophenyl)methoxy]-1-(4-phenylphenyl)piperidine (CID 174433975) is 3-[(4-chlorophenyl)methoxy]-1-(4-phenylphenyl)piperidine.
What is the SMILES notation for 3-[(4-chlorophenyl)methoxy]-1-(4-phenylphenyl)piperidine?
The canonical SMILES for 3-[(4-chlorophenyl)methoxy]-1-(4-phenylphenyl)piperidine is Clc1ccc(COC2CCCN(c3ccc(-c4ccccc4)cc3)C2)cc1.
What is the InChIKey of 3-[(4-chlorophenyl)methoxy]-1-(4-phenylphenyl)piperidine?
The InChIKey is CXLBCUNMIQGROF-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H24ClNO/c25-22-12-8-19(9-13-22)18-27-24-7-4-16-26(17-24)23-14-10-21(11-15-23)20-5-2-1-3-6-20/h1-3,5-6,8-15,24H,4,7,16-18H2.
What are the key properties of 3-[(4-chlorophenyl)methoxy]-1-(4-phenylphenyl)piperidine?
3-[(4-chlorophenyl)methoxy]-1-(4-phenylphenyl)piperidine has a molecular weight of 377.92 g/mol, XLogP of 6.19, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(4-chlorophenyl)methoxy]-1-(4-phenylphenyl)piperidine is sourced from PubChem (CID 174433975), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).