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

C18H25ClN2O — CID 25250006

IUPAC[1-[(2-chlorophenyl)methyl]piperidin-4-yl]-piperidin-1-ylmethanone
SMILESO=C(C1CCN(Cc2ccccc2Cl)CC1)N1CCCCC1
InChIInChI=1S/C18H25ClN2O/c19-17-7-3-2-6-16(17)14-20-12-8-15(9-13-20)18(22)21-10-4-1-5-11-21/h2-3,6-7,15H,1,4-5,8-14H2
InChIKeyBPJBBXUQEYKSHV-UHFFFAOYSA-N
MW320.86 g/mol
LogP3.56
Rot. Bonds3

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

[1-[(2-chlorophenyl)methyl]piperidin-4-yl]-piperidin-1-ylmethanone (PubChem CID 25250006) has the molecular formula C18H25ClN2O and a molecular weight of 320.86 g/mol. Its IUPAC name is [1-[(2-chlorophenyl)methyl]piperidin-4-yl]-piperidin-1-ylmethanone.

Molecular Properties

Compound Name[1-[(2-chlorophenyl)methyl]piperidin-4-yl]-piperidin-1-ylmethanone
PubChem CID25250006
Molecular FormulaC18H25ClN2O
Molecular Weight320.86 g/mol
Exact Mass320.17
IUPAC Name[1-[(2-chlorophenyl)methyl]piperidin-4-yl]-piperidin-1-ylmethanone
SMILESO=C(C1CCN(Cc2ccccc2Cl)CC1)N1CCCCC1
InChIInChI=1S/C18H25ClN2O/c19-17-7-3-2-6-16(17)14-20-12-8-15(9-13-20)18(22)21-10-4-1-5-11-21/h2-3,6-7,15H,1,4-5,8-14H2
InChIKeyBPJBBXUQEYKSHV-UHFFFAOYSA-N
XLogP3.56
TPSA23.55 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.86
LogP ≤ 53.56
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

[1-[(2-chlorophenyl)methyl]piperidin-4-yl]-(3,3-dimethylpiperidin-1-yl)methanone
CID 45019436
[1-[(2-hydroxyphenyl)methyl]piperidin-4-yl]-piperidin-1-ylmethanone;oxalic acid
CID 44828315
(4-benzhydrylpiperazin-1-yl)-[1-[(2-chlorophenyl)methyl]piperidin-4-yl]methanone
CID 2903813
[4-(benzenesulfonyl)piperazin-1-yl]-[1-[(2-chlorophenyl)methyl]piperidin-4-yl]methanone
CID 45017329
[1-[(2-chlorophenyl)methyl]piperidin-4-yl]-cyclopropylmethanone
CID 155674268
1-[(2-chlorophenyl)methyl]piperidine-4-carboxamide
CID 3889228
[1-[(2-chloro-6-fluorophenyl)methyl]piperidin-4-yl]-piperidin-1-ylmethanone
CID 25249332
pyrrolidin-1-yl-[1-[[2-(trifluoromethyl)phenyl]methyl]piperidin-4-yl]methanone
CID 134058330
1-[(2-chlorophenyl)methyl]azepane
CID 17017924
piperidin-1-yl-[1-[(2-pyridin-3-ylphenyl)methyl]piperidin-4-yl]methanone
CID 134801404
(4-chlorophenyl)-[1-[(2-chlorophenyl)methyl]piperidin-4-yl]methanone
CID 60561002
[2-[1-[(2-chlorophenyl)methyl]piperidin-4-yl]oxyphenyl]-piperidin-1-ylmethanone
CID 42150850

Frequently Asked Questions

What is the IUPAC name of [1-[(2-chlorophenyl)methyl]piperidin-4-yl]-piperidin-1-ylmethanone?
The IUPAC name of [1-[(2-chlorophenyl)methyl]piperidin-4-yl]-piperidin-1-ylmethanone (CID 25250006) is [1-[(2-chlorophenyl)methyl]piperidin-4-yl]-piperidin-1-ylmethanone.
What is the SMILES notation for [1-[(2-chlorophenyl)methyl]piperidin-4-yl]-piperidin-1-ylmethanone?
The canonical SMILES for [1-[(2-chlorophenyl)methyl]piperidin-4-yl]-piperidin-1-ylmethanone is O=C(C1CCN(Cc2ccccc2Cl)CC1)N1CCCCC1.
What is the InChIKey of [1-[(2-chlorophenyl)methyl]piperidin-4-yl]-piperidin-1-ylmethanone?
The InChIKey is BPJBBXUQEYKSHV-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H25ClN2O/c19-17-7-3-2-6-16(17)14-20-12-8-15(9-13-20)18(22)21-10-4-1-5-11-21/h2-3,6-7,15H,1,4-5,8-14H2.
What are the key properties of [1-[(2-chlorophenyl)methyl]piperidin-4-yl]-piperidin-1-ylmethanone?
[1-[(2-chlorophenyl)methyl]piperidin-4-yl]-piperidin-1-ylmethanone has a molecular weight of 320.86 g/mol, XLogP of 3.56, 3 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]-piperidin-1-ylmethanone is sourced from PubChem (CID 25250006), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).