[1-[(2-chlorophenyl)methyl]piperidin-4-yl]-cyclopropylmethanone

C16H20ClNO — CID 155674268

IUPAC[1-[(2-chlorophenyl)methyl]piperidin-4-yl]-cyclopropylmethanone
SMILESO=C(C1CC1)C1CCN(Cc2ccccc2Cl)CC1
InChIInChI=1S/C16H20ClNO/c17-15-4-2-1-3-14(15)11-18-9-7-13(8-10-18)16(19)12-5-6-12/h1-4,12-13H,5-11H2
InChIKeyCFUHYDFYTNCLNA-UHFFFAOYSA-N
MW277.79 g/mol
LogP3.53
Rot. Bonds4

About [1-[(2-chlorophenyl)methyl]piperidin-4-yl]-cyclopropylmethanone

[1-[(2-chlorophenyl)methyl]piperidin-4-yl]-cyclopropylmethanone (PubChem CID 155674268) has the molecular formula C16H20ClNO and a molecular weight of 277.79 g/mol. Its IUPAC name is [1-[(2-chlorophenyl)methyl]piperidin-4-yl]-cyclopropylmethanone.

Molecular Properties

Compound Name[1-[(2-chlorophenyl)methyl]piperidin-4-yl]-cyclopropylmethanone
PubChem CID155674268
Molecular FormulaC16H20ClNO
Molecular Weight277.79 g/mol
Exact Mass277.12
IUPAC Name[1-[(2-chlorophenyl)methyl]piperidin-4-yl]-cyclopropylmethanone
SMILESO=C(C1CC1)C1CCN(Cc2ccccc2Cl)CC1
InChIInChI=1S/C16H20ClNO/c17-15-4-2-1-3-14(15)11-18-9-7-13(8-10-18)16(19)12-5-6-12/h1-4,12-13H,5-11H2
InChIKeyCFUHYDFYTNCLNA-UHFFFAOYSA-N
XLogP3.53
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.79
LogP ≤ 53.53
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

1-[(2-chlorophenyl)methyl]piperidine-4-carboxamide
CID 3889228
[1-[(2-chlorophenyl)methyl]piperidin-4-yl]-piperidin-1-ylmethanone
CID 25250006
(4-chlorophenyl)-[1-[(2-chlorophenyl)methyl]piperidin-4-yl]methanone
CID 60561002
1-[1-[(2-chlorophenyl)methyl]piperidin-4-yl]-3-methylbutan-1-one
CID 155674278
3-chloro-1-[(2-chlorophenyl)methyl]pyrrolidine
CID 63388048
1-[(2-chlorophenyl)methyl]-N-cyclopropylpyrrolidine-3-carboxamide
CID 166602716
1-[(2-chlorophenyl)methyl]-N-[(2S)-1-methoxypropan-2-yl]piperidine-4-carboxamide
CID 28630305
1-[(2-chlorophenyl)methyl]-N-cyclopentylpiperidine-4-carboxamide;oxalic acid
CID 2903315
1-[(2-chlorophenyl)methyl]-N-[(4-chlorophenyl)methyl]piperidine-4-carboxamide
CID 45007673
2-[1-[(2-chlorophenyl)methyl]piperidin-4-yl]propan-2-ol
CID 172900561
1-[(2-chlorophenyl)methyl]azepane
CID 17017924
[1-[(2-chlorophenyl)methyl]piperidin-4-yl] N-methylcarbamate
CID 91291495

Frequently Asked Questions

What is the IUPAC name of [1-[(2-chlorophenyl)methyl]piperidin-4-yl]-cyclopropylmethanone?
The IUPAC name of [1-[(2-chlorophenyl)methyl]piperidin-4-yl]-cyclopropylmethanone (CID 155674268) is [1-[(2-chlorophenyl)methyl]piperidin-4-yl]-cyclopropylmethanone.
What is the SMILES notation for [1-[(2-chlorophenyl)methyl]piperidin-4-yl]-cyclopropylmethanone?
The canonical SMILES for [1-[(2-chlorophenyl)methyl]piperidin-4-yl]-cyclopropylmethanone is O=C(C1CC1)C1CCN(Cc2ccccc2Cl)CC1.
What is the InChIKey of [1-[(2-chlorophenyl)methyl]piperidin-4-yl]-cyclopropylmethanone?
The InChIKey is CFUHYDFYTNCLNA-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20ClNO/c17-15-4-2-1-3-14(15)11-18-9-7-13(8-10-18)16(19)12-5-6-12/h1-4,12-13H,5-11H2.
What are the key properties of [1-[(2-chlorophenyl)methyl]piperidin-4-yl]-cyclopropylmethanone?
[1-[(2-chlorophenyl)methyl]piperidin-4-yl]-cyclopropylmethanone has a molecular weight of 277.79 g/mol, XLogP of 3.53, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [1-[(2-chlorophenyl)methyl]piperidin-4-yl]-cyclopropylmethanone is sourced from PubChem (CID 155674268), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).