4-(4-chlorophenyl)-1-(4-phenylmethoxypiperidin-1-yl)butan-1-one

C22H26ClNO2 — CID 55773001

IUPAC4-(4-chlorophenyl)-1-(4-phenylmethoxypiperidin-1-yl)butan-1-one
SMILESO=C(CCCc1ccc(Cl)cc1)N1CCC(OCc2ccccc2)CC1
InChIInChI=1S/C22H26ClNO2/c23-20-11-9-18(10-12-20)7-4-8-22(25)24-15-13-21(14-16-24)26-17-19-5-2-1-3-6-19/h1-3,5-6,9-12,21H,4,7-8,13-17H2
InChIKeyCWHRRYZNHHDIEQ-UHFFFAOYSA-N
MW371.91 g/mol
LogP4.87
Rot. Bonds7

About 4-(4-chlorophenyl)-1-(4-phenylmethoxypiperidin-1-yl)butan-1-one

4-(4-chlorophenyl)-1-(4-phenylmethoxypiperidin-1-yl)butan-1-one (PubChem CID 55773001) has the molecular formula C22H26ClNO2 and a molecular weight of 371.91 g/mol. Its IUPAC name is 4-(4-chlorophenyl)-1-(4-phenylmethoxypiperidin-1-yl)butan-1-one.

Molecular Properties

Compound Name4-(4-chlorophenyl)-1-(4-phenylmethoxypiperidin-1-yl)butan-1-one
PubChem CID55773001
Molecular FormulaC22H26ClNO2
Molecular Weight371.91 g/mol
Exact Mass371.17
IUPAC Name4-(4-chlorophenyl)-1-(4-phenylmethoxypiperidin-1-yl)butan-1-one
SMILESO=C(CCCc1ccc(Cl)cc1)N1CCC(OCc2ccccc2)CC1
InChIInChI=1S/C22H26ClNO2/c23-20-11-9-18(10-12-20)7-4-8-22(25)24-15-13-21(14-16-24)26-17-19-5-2-1-3-6-19/h1-3,5-6,9-12,21H,4,7-8,13-17H2
InChIKeyCWHRRYZNHHDIEQ-UHFFFAOYSA-N
XLogP4.87
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500371.91
LogP ≤ 54.87
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze 4-(4-chlorophenyl)-1-(4-phenylmethoxypiperidin-1-yl)butan-1-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-(4-hydroxyphenyl)-1-(4-phenylmethoxypiperidin-1-yl)ethanone
CID 78828531
4-amino-1-[4-[(3,4-dichlorophenyl)methoxy]piperidin-1-yl]butan-1-one
CID 75513595
1-(4-methylpiperidin-1-yl)-4-phenylbutan-1-one
CID 1122148
benzyl N-[1-[3-(4-chlorophenyl)propanoyl]piperidin-4-yl]carbamate
CID 108566597
1-(4-phenylmethoxypiperidin-1-yl)-4-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)butan-1-one
CID 55712375
N'-[2-(4-chlorophenyl)acetyl]-1-(3-phenylpropanoyl)piperidine-4-carbohydrazide
CID 46411290
4-phenyl-1-(4-pyridin-3-yloxypiperidin-1-yl)butan-1-one
CID 71801294
1-[3-(4-chlorophenyl)propanoyl]piperidine-4-carboxylic acid
CID 45341294
4-phenylmethoxyazepane-1-carboxylic acid
CID 77320736
5-(4-chlorophenyl)-1-piperidin-1-ylpentan-1-one
CID 56982056
(2,3-dichlorophenyl)-(4-phenylmethoxypiperidin-1-yl)methanone
CID 55460870
11-phenyl-1-pyrrolidin-1-ylundecan-1-one
CID 10805309

Frequently Asked Questions

What is the IUPAC name of 4-(4-chlorophenyl)-1-(4-phenylmethoxypiperidin-1-yl)butan-1-one?
The IUPAC name of 4-(4-chlorophenyl)-1-(4-phenylmethoxypiperidin-1-yl)butan-1-one (CID 55773001) is 4-(4-chlorophenyl)-1-(4-phenylmethoxypiperidin-1-yl)butan-1-one.
What is the SMILES notation for 4-(4-chlorophenyl)-1-(4-phenylmethoxypiperidin-1-yl)butan-1-one?
The canonical SMILES for 4-(4-chlorophenyl)-1-(4-phenylmethoxypiperidin-1-yl)butan-1-one is O=C(CCCc1ccc(Cl)cc1)N1CCC(OCc2ccccc2)CC1.
What is the InChIKey of 4-(4-chlorophenyl)-1-(4-phenylmethoxypiperidin-1-yl)butan-1-one?
The InChIKey is CWHRRYZNHHDIEQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H26ClNO2/c23-20-11-9-18(10-12-20)7-4-8-22(25)24-15-13-21(14-16-24)26-17-19-5-2-1-3-6-19/h1-3,5-6,9-12,21H,4,7-8,13-17H2.
What are the key properties of 4-(4-chlorophenyl)-1-(4-phenylmethoxypiperidin-1-yl)butan-1-one?
4-(4-chlorophenyl)-1-(4-phenylmethoxypiperidin-1-yl)butan-1-one has a molecular weight of 371.91 g/mol, XLogP of 4.87, 7 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-chlorophenyl)-1-(4-phenylmethoxypiperidin-1-yl)butan-1-one is sourced from PubChem (CID 55773001), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).