1-[2-chloro-4-(1-hydroxypropan-2-yl)phenyl]piperidin-3-one

C14H18ClNO2 — CID 154126949

IUPAC1-[2-chloro-4-(1-hydroxypropan-2-yl)phenyl]piperidin-3-one
SMILESCC(CO)c1ccc(N2CCCC(=O)C2)c(Cl)c1
InChIInChI=1S/C14H18ClNO2/c1-10(9-17)11-4-5-14(13(15)7-11)16-6-2-3-12(18)8-16/h4-5,7,10,17H,2-3,6,8-9H2,1H3
InChIKeyMOZCOBNPRMGLFD-UHFFFAOYSA-N
MW267.76 g/mol
LogP2.61
Rot. Bonds3

About 1-[2-chloro-4-(1-hydroxypropan-2-yl)phenyl]piperidin-3-one

1-[2-chloro-4-(1-hydroxypropan-2-yl)phenyl]piperidin-3-one (PubChem CID 154126949) has the molecular formula C14H18ClNO2 and a molecular weight of 267.76 g/mol. Its IUPAC name is 1-[2-chloro-4-(1-hydroxypropan-2-yl)phenyl]piperidin-3-one.

Molecular Properties

Compound Name1-[2-chloro-4-(1-hydroxypropan-2-yl)phenyl]piperidin-3-one
PubChem CID154126949
Molecular FormulaC14H18ClNO2
Molecular Weight267.76 g/mol
Exact Mass267.10
IUPAC Name1-[2-chloro-4-(1-hydroxypropan-2-yl)phenyl]piperidin-3-one
SMILESCC(CO)c1ccc(N2CCCC(=O)C2)c(Cl)c1
InChIInChI=1S/C14H18ClNO2/c1-10(9-17)11-4-5-14(13(15)7-11)16-6-2-3-12(18)8-16/h4-5,7,10,17H,2-3,6,8-9H2,1H3
InChIKeyMOZCOBNPRMGLFD-UHFFFAOYSA-N
XLogP2.61
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.76
LogP ≤ 52.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-[2-(3-chloro-4-piperidin-1-ylphenyl)propyl]benzoic acid
CID 154251085
2-(3-amino-4-piperidin-1-ylphenyl)propan-1-ol
CID 154114930
4-[4-(1-aminoethyl)-2-chlorophenyl]-1-methyl-1,4-diazepan-2-one
CID 102889325
(2R)-2-(3,4-dichlorophenyl)propan-1-ol
CID 97044410
4-[2-chloro-4-[(1S)-1-hydroxyethyl]phenyl]-1,4-diazepan-2-one
CID 79005316
N-[2-(3-chloro-4-piperidin-1-ylphenyl)propyl]propane-2-sulfonamide
CID 57015700
1-[2-chloro-4-[4-[2-(3-chloro-4-piperidin-1-ylphenyl)heptan-4-yloxy]heptan-2-yl]phenyl]piperidine
CID 154388269
4-[4-(1-aminoethyl)-2-chlorophenyl]-1-methylpiperazin-2-one
CID 64695306
2-(3-chloro-4-imidazol-1-ylphenyl)propan-1-ol
CID 117345846
6-(1-hydroxypropan-2-yl)-1-methyl-3,4-dihydroquinolin-2-one
CID 117312785
4-[4-(1-aminoethyl)-2-chlorophenyl]piperazine-2,6-dione
CID 66083936
3-(3-chloro-4-morpholin-4-ylphenyl)butanal
CID 117423190

Frequently Asked Questions

What is the IUPAC name of 1-[2-chloro-4-(1-hydroxypropan-2-yl)phenyl]piperidin-3-one?
The IUPAC name of 1-[2-chloro-4-(1-hydroxypropan-2-yl)phenyl]piperidin-3-one (CID 154126949) is 1-[2-chloro-4-(1-hydroxypropan-2-yl)phenyl]piperidin-3-one.
What is the SMILES notation for 1-[2-chloro-4-(1-hydroxypropan-2-yl)phenyl]piperidin-3-one?
The canonical SMILES for 1-[2-chloro-4-(1-hydroxypropan-2-yl)phenyl]piperidin-3-one is CC(CO)c1ccc(N2CCCC(=O)C2)c(Cl)c1.
What is the InChIKey of 1-[2-chloro-4-(1-hydroxypropan-2-yl)phenyl]piperidin-3-one?
The InChIKey is MOZCOBNPRMGLFD-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18ClNO2/c1-10(9-17)11-4-5-14(13(15)7-11)16-6-2-3-12(18)8-16/h4-5,7,10,17H,2-3,6,8-9H2,1H3.
What are the key properties of 1-[2-chloro-4-(1-hydroxypropan-2-yl)phenyl]piperidin-3-one?
1-[2-chloro-4-(1-hydroxypropan-2-yl)phenyl]piperidin-3-one has a molecular weight of 267.76 g/mol, XLogP of 2.61, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-chloro-4-(1-hydroxypropan-2-yl)phenyl]piperidin-3-one is sourced from PubChem (CID 154126949), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).