[1-(4-chlorophenyl)cyclopropyl]-(3-hydroxy-3-methylpiperidin-1-yl)methanone

C16H20ClNO2 — CID 115874970

IUPAC[1-(4-chlorophenyl)cyclopropyl]-(3-hydroxy-3-methylpiperidin-1-yl)methanone
SMILESCC1(O)CCCN(C(=O)C2(c3ccc(Cl)cc3)CC2)C1
InChIInChI=1S/C16H20ClNO2/c1-15(20)7-2-10-18(11-15)14(19)16(8-9-16)12-3-5-13(17)6-4-12/h3-6,20H,2,7-11H2,1H3
InChIKeyYXAMQHXUZFRYNW-UHFFFAOYSA-N
MW293.79 g/mol
LogP2.74
Rot. Bonds2

About [1-(4-chlorophenyl)cyclopropyl]-(3-hydroxy-3-methylpiperidin-1-yl)methanone

[1-(4-chlorophenyl)cyclopropyl]-(3-hydroxy-3-methylpiperidin-1-yl)methanone (PubChem CID 115874970) has the molecular formula C16H20ClNO2 and a molecular weight of 293.79 g/mol. Its IUPAC name is [1-(4-chlorophenyl)cyclopropyl]-(3-hydroxy-3-methylpiperidin-1-yl)methanone.

Molecular Properties

Compound Name[1-(4-chlorophenyl)cyclopropyl]-(3-hydroxy-3-methylpiperidin-1-yl)methanone
PubChem CID115874970
Molecular FormulaC16H20ClNO2
Molecular Weight293.79 g/mol
Exact Mass293.12
IUPAC Name[1-(4-chlorophenyl)cyclopropyl]-(3-hydroxy-3-methylpiperidin-1-yl)methanone
SMILESCC1(O)CCCN(C(=O)C2(c3ccc(Cl)cc3)CC2)C1
InChIInChI=1S/C16H20ClNO2/c1-15(20)7-2-10-18(11-15)14(19)16(8-9-16)12-3-5-13(17)6-4-12/h3-6,20H,2,7-11H2,1H3
InChIKeyYXAMQHXUZFRYNW-UHFFFAOYSA-N
XLogP2.74
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.79
LogP ≤ 52.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-[1-(4-chlorophenyl)cyclopropanecarbonyl]-3-methylpyrrolidine-3-carboxylic acid
CID 63146609
(3-tert-butyl-3-hydroxypyrrolidin-1-yl)-[1-(4-chlorophenyl)cyclopropyl]methanone
CID 66661540
2-(4-chlorophenyl)-1-(3-hydroxy-3-methylpiperidin-1-yl)-3-methylbutan-1-one
CID 115874845
[3-(aminomethyl)-3-methylpyrrolidin-1-yl]-[1-(4-chlorophenyl)cyclohexyl]methanone
CID 120810169
[1-(4-chlorophenyl)cyclobutyl]-(4-methylpiperazin-1-yl)methanone
CID 134016732
1-[1-(4-chlorophenyl)cyclopropanecarbonyl]-4-hydroxypiperidine-4-carboxylic acid
CID 119251424
(2,5-dichlorophenyl)-(3-hydroxy-3-methylpiperidin-1-yl)methanone
CID 113344075
2-(4-chlorophenoxy)-1-(3-hydroxy-3-methylpiperidin-1-yl)ethanone
CID 115874384
[1-(4-chlorophenyl)cyclopropyl]-piperazin-1-ylmethanone
CID 50742286
[1-(4-chlorophenyl)cyclobutyl]-(3-methylpiperidin-1-yl)methanone
CID 59277648
(7Z)-1-[1-(4-chlorophenyl)cyclopropanecarbonyl]-5,5-dimethyl-6-oxo-3,4,9,10-tetrahydro-2H-azecine-7-carbonitrile
CID 170113617
[1-(4-chlorophenyl)cyclopropyl]-(8-methylsulfonyl-2,8-diazaspiro[4.5]decan-2-yl)methanone
CID 11618178

Frequently Asked Questions

What is the IUPAC name of [1-(4-chlorophenyl)cyclopropyl]-(3-hydroxy-3-methylpiperidin-1-yl)methanone?
The IUPAC name of [1-(4-chlorophenyl)cyclopropyl]-(3-hydroxy-3-methylpiperidin-1-yl)methanone (CID 115874970) is [1-(4-chlorophenyl)cyclopropyl]-(3-hydroxy-3-methylpiperidin-1-yl)methanone.
What is the SMILES notation for [1-(4-chlorophenyl)cyclopropyl]-(3-hydroxy-3-methylpiperidin-1-yl)methanone?
The canonical SMILES for [1-(4-chlorophenyl)cyclopropyl]-(3-hydroxy-3-methylpiperidin-1-yl)methanone is CC1(O)CCCN(C(=O)C2(c3ccc(Cl)cc3)CC2)C1.
What is the InChIKey of [1-(4-chlorophenyl)cyclopropyl]-(3-hydroxy-3-methylpiperidin-1-yl)methanone?
The InChIKey is YXAMQHXUZFRYNW-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20ClNO2/c1-15(20)7-2-10-18(11-15)14(19)16(8-9-16)12-3-5-13(17)6-4-12/h3-6,20H,2,7-11H2,1H3.
What are the key properties of [1-(4-chlorophenyl)cyclopropyl]-(3-hydroxy-3-methylpiperidin-1-yl)methanone?
[1-(4-chlorophenyl)cyclopropyl]-(3-hydroxy-3-methylpiperidin-1-yl)methanone has a molecular weight of 293.79 g/mol, XLogP of 2.74, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(4-chlorophenyl)cyclopropyl]-(3-hydroxy-3-methylpiperidin-1-yl)methanone is sourced from PubChem (CID 115874970), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).