4-(3,4-dichlorophenyl)-1-(4-hydroxypiperidin-1-yl)butan-1-one

C15H19Cl2NO2 — CID 110897013

IUPAC4-(3,4-dichlorophenyl)-1-(4-hydroxypiperidin-1-yl)butan-1-one
SMILESO=C(CCCc1ccc(Cl)c(Cl)c1)N1CCC(O)CC1
InChIInChI=1S/C15H19Cl2NO2/c16-13-5-4-11(10-14(13)17)2-1-3-15(20)18-8-6-12(19)7-9-18/h4-5,10,12,19H,1-3,6-9H2
InChIKeyIXTUKWKCOMJJCR-UHFFFAOYSA-N
MW316.23 g/mol
LogP3.30
Rot. Bonds4

About 4-(3,4-dichlorophenyl)-1-(4-hydroxypiperidin-1-yl)butan-1-one

4-(3,4-dichlorophenyl)-1-(4-hydroxypiperidin-1-yl)butan-1-one (PubChem CID 110897013) has the molecular formula C15H19Cl2NO2 and a molecular weight of 316.23 g/mol. Its IUPAC name is 4-(3,4-dichlorophenyl)-1-(4-hydroxypiperidin-1-yl)butan-1-one.

Molecular Properties

Compound Name4-(3,4-dichlorophenyl)-1-(4-hydroxypiperidin-1-yl)butan-1-one
PubChem CID110897013
Molecular FormulaC15H19Cl2NO2
Molecular Weight316.23 g/mol
Exact Mass315.08
IUPAC Name4-(3,4-dichlorophenyl)-1-(4-hydroxypiperidin-1-yl)butan-1-one
SMILESO=C(CCCc1ccc(Cl)c(Cl)c1)N1CCC(O)CC1
InChIInChI=1S/C15H19Cl2NO2/c16-13-5-4-11(10-14(13)17)2-1-3-15(20)18-8-6-12(19)7-9-18/h4-5,10,12,19H,1-3,6-9H2
InChIKeyIXTUKWKCOMJJCR-UHFFFAOYSA-N
XLogP3.30
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.23
LogP ≤ 53.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

4-(3,4-dichlorophenyl)-1-piperazin-1-ylbutan-1-one
CID 83931253
4-(3,4-dichlorophenyl)-1-[4-(methylaminomethyl)piperidin-1-yl]butan-1-one;hydrochloride
CID 119545173
4-(4-fluorophenyl)-1-(4-hydroxypiperidin-1-yl)butan-1-one
CID 82486693
1-(3-aminopiperidin-1-yl)-4-(3,4-dichlorophenyl)butan-1-one;hydrochloride
CID 119379855
1-(4-hydroxypiperidin-1-yl)-4-[4-(2-methylpropyl)phenyl]butan-1-one
CID 109378494
4-(3,4-dichlorophenyl)-1-[3-(methylaminomethyl)piperidin-1-yl]butan-1-one
CID 119397212
3-(3,4-dichlorophenyl)-1-pyrrolidin-1-ylpropan-1-one;methanamine
CID 145472486
4-amino-1-[4-[(3,4-dichlorophenyl)methoxy]piperidin-1-yl]butan-1-one
CID 75513595
4-(3,4-dichlorophenyl)butanamide
CID 47319689
1-[(3R,4R)-3-(aminomethyl)-4-phenylpyrrolidin-1-yl]-4-(3,4-dichlorophenyl)butan-1-one
CID 120743042
4-(2,5-dimethylphenyl)-1-(4-hydroxypiperidin-1-yl)butan-1-one
CID 98019491
N-[(3-chloro-4-fluorophenyl)methyl]-4-(4-hydroxypiperidin-1-yl)-4-oxobutanamide
CID 75437232

Frequently Asked Questions

What is the IUPAC name of 4-(3,4-dichlorophenyl)-1-(4-hydroxypiperidin-1-yl)butan-1-one?
The IUPAC name of 4-(3,4-dichlorophenyl)-1-(4-hydroxypiperidin-1-yl)butan-1-one (CID 110897013) is 4-(3,4-dichlorophenyl)-1-(4-hydroxypiperidin-1-yl)butan-1-one.
What is the SMILES notation for 4-(3,4-dichlorophenyl)-1-(4-hydroxypiperidin-1-yl)butan-1-one?
The canonical SMILES for 4-(3,4-dichlorophenyl)-1-(4-hydroxypiperidin-1-yl)butan-1-one is O=C(CCCc1ccc(Cl)c(Cl)c1)N1CCC(O)CC1.
What is the InChIKey of 4-(3,4-dichlorophenyl)-1-(4-hydroxypiperidin-1-yl)butan-1-one?
The InChIKey is IXTUKWKCOMJJCR-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19Cl2NO2/c16-13-5-4-11(10-14(13)17)2-1-3-15(20)18-8-6-12(19)7-9-18/h4-5,10,12,19H,1-3,6-9H2.
What are the key properties of 4-(3,4-dichlorophenyl)-1-(4-hydroxypiperidin-1-yl)butan-1-one?
4-(3,4-dichlorophenyl)-1-(4-hydroxypiperidin-1-yl)butan-1-one has a molecular weight of 316.23 g/mol, XLogP of 3.30, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3,4-dichlorophenyl)-1-(4-hydroxypiperidin-1-yl)butan-1-one is sourced from PubChem (CID 110897013), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).