[1-[(2-chlorophenyl)methyl]piperidin-4-yl]-(3,3-dimethylpiperidin-1-yl)methanone

C20H29ClN2O — CID 45019436

IUPAC[1-[(2-chlorophenyl)methyl]piperidin-4-yl]-(3,3-dimethylpiperidin-1-yl)methanone
SMILESCC1(C)CCCN(C(=O)C2CCN(Cc3ccccc3Cl)CC2)C1
InChIInChI=1S/C20H29ClN2O/c1-20(2)10-5-11-23(15-20)19(24)16-8-12-22(13-9-16)14-17-6-3-4-7-18(17)21/h3-4,6-7,16H,5,8-15H2,1-2H3
InChIKeyKAILKJPFLWQXQX-UHFFFAOYSA-N
MW348.92 g/mol
LogP4.20
Rot. Bonds3

About [1-[(2-chlorophenyl)methyl]piperidin-4-yl]-(3,3-dimethylpiperidin-1-yl)methanone

[1-[(2-chlorophenyl)methyl]piperidin-4-yl]-(3,3-dimethylpiperidin-1-yl)methanone (PubChem CID 45019436) has the molecular formula C20H29ClN2O and a molecular weight of 348.92 g/mol. Its IUPAC name is [1-[(2-chlorophenyl)methyl]piperidin-4-yl]-(3,3-dimethylpiperidin-1-yl)methanone.

Molecular Properties

Compound Name[1-[(2-chlorophenyl)methyl]piperidin-4-yl]-(3,3-dimethylpiperidin-1-yl)methanone
PubChem CID45019436
Molecular FormulaC20H29ClN2O
Molecular Weight348.92 g/mol
Exact Mass348.20
IUPAC Name[1-[(2-chlorophenyl)methyl]piperidin-4-yl]-(3,3-dimethylpiperidin-1-yl)methanone
SMILESCC1(C)CCCN(C(=O)C2CCN(Cc3ccccc3Cl)CC2)C1
InChIInChI=1S/C20H29ClN2O/c1-20(2)10-5-11-23(15-20)19(24)16-8-12-22(13-9-16)14-17-6-3-4-7-18(17)21/h3-4,6-7,16H,5,8-15H2,1-2H3
InChIKeyKAILKJPFLWQXQX-UHFFFAOYSA-N
XLogP4.20
TPSA23.55 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.92
LogP ≤ 54.20
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

[1-[(2-chlorophenyl)methyl]piperidin-4-yl]-piperidin-1-ylmethanone
CID 25250006
[1-[(2-chlorophenyl)methyl]piperidin-4-yl]-cyclopropylmethanone
CID 155674268
1-[(2-chlorophenyl)methyl]piperidine-4-carboxamide
CID 3889228
[4-(benzenesulfonyl)piperazin-1-yl]-[1-[(2-chlorophenyl)methyl]piperidin-4-yl]methanone
CID 45017329
(4-benzhydrylpiperazin-1-yl)-[1-[(2-chlorophenyl)methyl]piperidin-4-yl]methanone
CID 2903813
[1-[(2-hydroxyphenyl)methyl]piperidin-4-yl]-piperidin-1-ylmethanone;oxalic acid
CID 44828315
1-[1-[(2-chlorophenyl)methyl]piperidin-4-yl]-3-methylbutan-1-one
CID 155674278
pyrrolidin-1-yl-[1-[[2-(trifluoromethyl)phenyl]methyl]piperidin-4-yl]methanone
CID 134058330
[1-[(2-chlorophenyl)methyl]piperidin-3-yl]-(4,4-difluoropiperidin-1-yl)methanone
CID 163357971
(4-chlorophenyl)-[1-[(2-chlorophenyl)methyl]piperidin-4-yl]methanone
CID 60561002
[1-[(2-fluorophenyl)methyl]piperidin-4-yl]-[(3S)-3-methylpiperidin-1-yl]methanone
CID 807250
[4-[(2-chlorophenyl)methyl]piperazin-1-yl]-[(3R)-1-methylsulfonylpiperidin-3-yl]methanone
CID 28559694

Frequently Asked Questions

What is the IUPAC name of [1-[(2-chlorophenyl)methyl]piperidin-4-yl]-(3,3-dimethylpiperidin-1-yl)methanone?
The IUPAC name of [1-[(2-chlorophenyl)methyl]piperidin-4-yl]-(3,3-dimethylpiperidin-1-yl)methanone (CID 45019436) is [1-[(2-chlorophenyl)methyl]piperidin-4-yl]-(3,3-dimethylpiperidin-1-yl)methanone.
What is the SMILES notation for [1-[(2-chlorophenyl)methyl]piperidin-4-yl]-(3,3-dimethylpiperidin-1-yl)methanone?
The canonical SMILES for [1-[(2-chlorophenyl)methyl]piperidin-4-yl]-(3,3-dimethylpiperidin-1-yl)methanone is CC1(C)CCCN(C(=O)C2CCN(Cc3ccccc3Cl)CC2)C1.
What is the InChIKey of [1-[(2-chlorophenyl)methyl]piperidin-4-yl]-(3,3-dimethylpiperidin-1-yl)methanone?
The InChIKey is KAILKJPFLWQXQX-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H29ClN2O/c1-20(2)10-5-11-23(15-20)19(24)16-8-12-22(13-9-16)14-17-6-3-4-7-18(17)21/h3-4,6-7,16H,5,8-15H2,1-2H3.
What are the key properties of [1-[(2-chlorophenyl)methyl]piperidin-4-yl]-(3,3-dimethylpiperidin-1-yl)methanone?
[1-[(2-chlorophenyl)methyl]piperidin-4-yl]-(3,3-dimethylpiperidin-1-yl)methanone has a molecular weight of 348.92 g/mol, XLogP of 4.20, 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]-(3,3-dimethylpiperidin-1-yl)methanone is sourced from PubChem (CID 45019436), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).