1-(3-chlorophenyl)-3-(3-hydroxy-8-azabicyclo[3.2.1]octan-8-yl)propan-1-one

C16H20ClNO2 — CID 63768041

IUPAC1-(3-chlorophenyl)-3-(3-hydroxy-8-azabicyclo[3.2.1]octan-8-yl)propan-1-one
SMILESO=C(CCN1C2CCC1CC(O)C2)c1cccc(Cl)c1
InChIInChI=1S/C16H20ClNO2/c17-12-3-1-2-11(8-12)16(20)6-7-18-13-4-5-14(18)10-15(19)9-13/h1-3,8,13-15,19H,4-7,9-10H2
InChIKeyWLDVSFQFWCENCJ-UHFFFAOYSA-N
MW293.79 g/mol
LogP2.90
Rot. Bonds4

About 1-(3-chlorophenyl)-3-(3-hydroxy-8-azabicyclo[3.2.1]octan-8-yl)propan-1-one

1-(3-chlorophenyl)-3-(3-hydroxy-8-azabicyclo[3.2.1]octan-8-yl)propan-1-one (PubChem CID 63768041) has the molecular formula C16H20ClNO2 and a molecular weight of 293.79 g/mol. Its IUPAC name is 1-(3-chlorophenyl)-3-(3-hydroxy-8-azabicyclo[3.2.1]octan-8-yl)propan-1-one.

Molecular Properties

Compound Name1-(3-chlorophenyl)-3-(3-hydroxy-8-azabicyclo[3.2.1]octan-8-yl)propan-1-one
PubChem CID63768041
Molecular FormulaC16H20ClNO2
Molecular Weight293.79 g/mol
Exact Mass293.12
IUPAC Name1-(3-chlorophenyl)-3-(3-hydroxy-8-azabicyclo[3.2.1]octan-8-yl)propan-1-one
SMILESO=C(CCN1C2CCC1CC(O)C2)c1cccc(Cl)c1
InChIInChI=1S/C16H20ClNO2/c17-12-3-1-2-11(8-12)16(20)6-7-18-13-4-5-14(18)10-15(19)9-13/h1-3,8,13-15,19H,4-7,9-10H2
InChIKeyWLDVSFQFWCENCJ-UHFFFAOYSA-N
XLogP2.90
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.79
LogP ≤ 52.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-(3-hydroxy-8-azabicyclo[3.2.1]octan-8-yl)-1-(4-methylphenyl)propan-1-one
CID 63770677
1-(3-chlorophenyl)-3-(4-methoxypiperidin-1-yl)propan-1-one
CID 62628820
3-(3,4,4a,5,6,7,8,8a-octahydro-1H-isoquinolin-2-yl)-1-(3-chlorophenyl)propan-1-one
CID 63482998
1-(3-chlorophenyl)-3-[2-(hydroxymethyl)piperidin-1-yl]propan-1-one
CID 62631068
1-(3-chlorophenyl)-3-[3-(hydroxymethyl)piperidin-1-yl]propan-1-one
CID 62630181
1-(3-chlorophenyl)-3-(3-propan-2-ylpyrrolidin-1-yl)propan-1-one
CID 113418799
N-(3-aminophenyl)-3-(3-hydroxy-8-azabicyclo[3.2.1]octan-8-yl)propanamide
CID 63763927
8-(3-chlorophenyl)sulfonyl-8-azabicyclo[3.2.1]octan-3-ol
CID 63764575
1-(3-chlorophenyl)-2-cyclohexylsulfinylethanone
CID 64640953
3-[2-(3-chlorophenyl)-2-oxoethyl]-3-azabicyclo[3.1.0]hexane-2,4-dione
CID 64835871
2-(chloroamino)-1-(3-chlorophenyl)ethanone
CID 126496293
7-chloro-1-(3-chlorophenyl)heptan-1-one
CID 24723859

Frequently Asked Questions

What is the IUPAC name of 1-(3-chlorophenyl)-3-(3-hydroxy-8-azabicyclo[3.2.1]octan-8-yl)propan-1-one?
The IUPAC name of 1-(3-chlorophenyl)-3-(3-hydroxy-8-azabicyclo[3.2.1]octan-8-yl)propan-1-one (CID 63768041) is 1-(3-chlorophenyl)-3-(3-hydroxy-8-azabicyclo[3.2.1]octan-8-yl)propan-1-one.
What is the SMILES notation for 1-(3-chlorophenyl)-3-(3-hydroxy-8-azabicyclo[3.2.1]octan-8-yl)propan-1-one?
The canonical SMILES for 1-(3-chlorophenyl)-3-(3-hydroxy-8-azabicyclo[3.2.1]octan-8-yl)propan-1-one is O=C(CCN1C2CCC1CC(O)C2)c1cccc(Cl)c1.
What is the InChIKey of 1-(3-chlorophenyl)-3-(3-hydroxy-8-azabicyclo[3.2.1]octan-8-yl)propan-1-one?
The InChIKey is WLDVSFQFWCENCJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20ClNO2/c17-12-3-1-2-11(8-12)16(20)6-7-18-13-4-5-14(18)10-15(19)9-13/h1-3,8,13-15,19H,4-7,9-10H2.
What are the key properties of 1-(3-chlorophenyl)-3-(3-hydroxy-8-azabicyclo[3.2.1]octan-8-yl)propan-1-one?
1-(3-chlorophenyl)-3-(3-hydroxy-8-azabicyclo[3.2.1]octan-8-yl)propan-1-one has a molecular weight of 293.79 g/mol, XLogP of 2.90, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-chlorophenyl)-3-(3-hydroxy-8-azabicyclo[3.2.1]octan-8-yl)propan-1-one is sourced from PubChem (CID 63768041), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).