3-(4-chlorophenyl)-1-[4-(hydroxymethyl)piperidin-1-yl]-3-phenylpropan-1-one

C21H24ClNO2 — CID 45187522

IUPAC3-(4-chlorophenyl)-1-[4-(hydroxymethyl)piperidin-1-yl]-3-phenylpropan-1-one
SMILESO=C(CC(c1ccccc1)c1ccc(Cl)cc1)N1CCC(CO)CC1
InChIInChI=1S/C21H24ClNO2/c22-19-8-6-18(7-9-19)20(17-4-2-1-3-5-17)14-21(25)23-12-10-16(15-24)11-13-23/h1-9,16,20,24H,10-15H2
InChIKeyGDWBZLQCJSFACL-UHFFFAOYSA-N
MW357.88 g/mol
LogP4.09
Rot. Bonds5

About 3-(4-chlorophenyl)-1-[4-(hydroxymethyl)piperidin-1-yl]-3-phenylpropan-1-one

3-(4-chlorophenyl)-1-[4-(hydroxymethyl)piperidin-1-yl]-3-phenylpropan-1-one (PubChem CID 45187522) has the molecular formula C21H24ClNO2 and a molecular weight of 357.88 g/mol. Its IUPAC name is 3-(4-chlorophenyl)-1-[4-(hydroxymethyl)piperidin-1-yl]-3-phenylpropan-1-one.

Molecular Properties

Compound Name3-(4-chlorophenyl)-1-[4-(hydroxymethyl)piperidin-1-yl]-3-phenylpropan-1-one
PubChem CID45187522
Molecular FormulaC21H24ClNO2
Molecular Weight357.88 g/mol
Exact Mass357.15
IUPAC Name3-(4-chlorophenyl)-1-[4-(hydroxymethyl)piperidin-1-yl]-3-phenylpropan-1-one
SMILESO=C(CC(c1ccccc1)c1ccc(Cl)cc1)N1CCC(CO)CC1
InChIInChI=1S/C21H24ClNO2/c22-19-8-6-18(7-9-19)20(17-4-2-1-3-5-17)14-21(25)23-12-10-16(15-24)11-13-23/h1-9,16,20,24H,10-15H2
InChIKeyGDWBZLQCJSFACL-UHFFFAOYSA-N
XLogP4.09
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.88
LogP ≤ 54.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

[4-(4-Chlorophenyl)-4-hydroxypiperidin-1-yl]-cyclohexylmethanone
CID 2809533
[1-(4-Chlorophenyl)cyclopropyl]-(4-phenylpiperidin-1-yl)methanone
CID 11588129
[1-(4-Chlorophenyl)cyclopropyl]-(3-phenylpiperidin-1-yl)methanone
CID 11695794
N-Benzyl-2-[(3R,4S)-4-(4-chloro-phenyl)-1-methyl-piperidin-3-yl]-N-methyl-acetamide
CID 9976459
2-[(3R,4S)-4-(4-Chloro-phenyl)-1-methyl-piperidin-3-yl]-N,N-dimethyl-acetamide
CID 11471946
4-(3-benzyl-6-chloro-2-methyl-3H-inden-1-yl)-1-morpholin-4-ylbutan-1-one
CID 46231337
[4-(2-Chlorobenzyl)-1-(cyclopentylcarbonyl)piperidin-4-yl]methanol
CID 16188327
[4-(4-Chlorobenzyl)-1-(cyclohex-3-en-1-ylcarbonyl)piperidin-4-yl]methanol
CID 16190235
[4-(2-Chlorobenzyl)-1-(spiro[2.4]hept-1-ylcarbonyl)piperidin-4-yl]methanol
CID 16192011
[4-(2-Chlorobenzyl)-1-(cyclohexylcarbonyl)piperidin-4-yl]methanol
CID 16192420
1-(4-(4-chlorophenyl)-5,6-dihydropyridin-1(2H)-yl)-3,3-diphenylpropan-1-one
CID 44450451
Ketone, beta-(p-chlorophenyl)phenethyl 4-(2-hydroxypropyl)piperazinyl
CID 32133

Frequently Asked Questions

What is the IUPAC name of 3-(4-chlorophenyl)-1-[4-(hydroxymethyl)piperidin-1-yl]-3-phenylpropan-1-one?
The IUPAC name of 3-(4-chlorophenyl)-1-[4-(hydroxymethyl)piperidin-1-yl]-3-phenylpropan-1-one (CID 45187522) is 3-(4-chlorophenyl)-1-[4-(hydroxymethyl)piperidin-1-yl]-3-phenylpropan-1-one.
What is the SMILES notation for 3-(4-chlorophenyl)-1-[4-(hydroxymethyl)piperidin-1-yl]-3-phenylpropan-1-one?
The canonical SMILES for 3-(4-chlorophenyl)-1-[4-(hydroxymethyl)piperidin-1-yl]-3-phenylpropan-1-one is O=C(CC(c1ccccc1)c1ccc(Cl)cc1)N1CCC(CO)CC1.
What is the InChIKey of 3-(4-chlorophenyl)-1-[4-(hydroxymethyl)piperidin-1-yl]-3-phenylpropan-1-one?
The InChIKey is GDWBZLQCJSFACL-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H24ClNO2/c22-19-8-6-18(7-9-19)20(17-4-2-1-3-5-17)14-21(25)23-12-10-16(15-24)11-13-23/h1-9,16,20,24H,10-15H2.
What are the key properties of 3-(4-chlorophenyl)-1-[4-(hydroxymethyl)piperidin-1-yl]-3-phenylpropan-1-one?
3-(4-chlorophenyl)-1-[4-(hydroxymethyl)piperidin-1-yl]-3-phenylpropan-1-one has a molecular weight of 357.88 g/mol, XLogP of 4.09, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-chlorophenyl)-1-[4-(hydroxymethyl)piperidin-1-yl]-3-phenylpropan-1-one is sourced from PubChem (CID 45187522), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).