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

C18H23ClF2N2O — CID 163357971

IUPAC[1-[(2-chlorophenyl)methyl]piperidin-3-yl]-(4,4-difluoropiperidin-1-yl)methanone
SMILESO=C(C1CCCN(Cc2ccccc2Cl)C1)N1CCC(F)(F)CC1
InChIInChI=1S/C18H23ClF2N2O/c19-16-6-2-1-4-14(16)12-22-9-3-5-15(13-22)17(24)23-10-7-18(20,21)8-11-23/h1-2,4,6,15H,3,5,7-13H2
InChIKeyUXDIQJDZELUPGN-UHFFFAOYSA-N
MW356.84 g/mol
LogP3.81
Rot. Bonds3

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

[1-[(2-chlorophenyl)methyl]piperidin-3-yl]-(4,4-difluoropiperidin-1-yl)methanone (PubChem CID 163357971) has the molecular formula C18H23ClF2N2O and a molecular weight of 356.84 g/mol. Its IUPAC name is [1-[(2-chlorophenyl)methyl]piperidin-3-yl]-(4,4-difluoropiperidin-1-yl)methanone.

Molecular Properties

Compound Name[1-[(2-chlorophenyl)methyl]piperidin-3-yl]-(4,4-difluoropiperidin-1-yl)methanone
PubChem CID163357971
Molecular FormulaC18H23ClF2N2O
Molecular Weight356.84 g/mol
Exact Mass356.15
IUPAC Name[1-[(2-chlorophenyl)methyl]piperidin-3-yl]-(4,4-difluoropiperidin-1-yl)methanone
SMILESO=C(C1CCCN(Cc2ccccc2Cl)C1)N1CCC(F)(F)CC1
InChIInChI=1S/C18H23ClF2N2O/c19-16-6-2-1-4-14(16)12-22-9-3-5-15(13-22)17(24)23-10-7-18(20,21)8-11-23/h1-2,4,6,15H,3,5,7-13H2
InChIKeyUXDIQJDZELUPGN-UHFFFAOYSA-N
XLogP3.81
TPSA23.55 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.84
LogP ≤ 53.81
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

(4,4-difluoropiperidin-1-yl)-[1-[(2-methylphenyl)methyl]pyrrolidin-3-yl]methanone
CID 165432913
(3S)-1-[(2-chlorophenyl)methyl]piperidine-3-carboxamide
CID 6962119
(4,4-difluoropiperidin-1-yl)-[1-[(4-methoxyphenyl)methyl]piperidin-3-yl]methanone
CID 163357915
azepan-1-yl-[(3R)-1-[(2-fluorophenyl)methyl]piperidin-3-yl]methanone
CID 756318
(4,4-difluoropiperidin-1-yl)-[1-[[3-(trifluoromethyl)phenyl]methyl]piperidin-3-yl]methanone
CID 163354854
[(3R)-1-benzylpiperidin-3-yl]-piperidin-1-ylmethanone
CID 756196
azepan-1-yl-[(3R)-1-benzylpiperidin-3-yl]methanone
CID 756185
(4-benzylpiperazin-1-yl)-[1-[(2-fluorophenyl)methyl]piperidin-3-yl]methanone
CID 43922259
[4-[(2-chlorophenyl)methyl]piperazin-1-yl]-[(3S)-1-methylsulfonylpiperidin-3-yl]methanone
CID 28559695
[4-[(2-chlorophenyl)methyl]piperazin-1-yl]-[(3R)-1-methylsulfonylpiperidin-3-yl]methanone
CID 28559694
[1-[(2-chlorophenyl)methyl]piperidin-4-yl]-piperidin-1-ylmethanone
CID 25250006
[1-[(2,4-difluorophenyl)methyl]pyrrolidin-3-yl]-(4,4-difluoropiperidin-1-yl)methanone
CID 165432887

Frequently Asked Questions

What is the IUPAC name of [1-[(2-chlorophenyl)methyl]piperidin-3-yl]-(4,4-difluoropiperidin-1-yl)methanone?
The IUPAC name of [1-[(2-chlorophenyl)methyl]piperidin-3-yl]-(4,4-difluoropiperidin-1-yl)methanone (CID 163357971) is [1-[(2-chlorophenyl)methyl]piperidin-3-yl]-(4,4-difluoropiperidin-1-yl)methanone.
What is the SMILES notation for [1-[(2-chlorophenyl)methyl]piperidin-3-yl]-(4,4-difluoropiperidin-1-yl)methanone?
The canonical SMILES for [1-[(2-chlorophenyl)methyl]piperidin-3-yl]-(4,4-difluoropiperidin-1-yl)methanone is O=C(C1CCCN(Cc2ccccc2Cl)C1)N1CCC(F)(F)CC1.
What is the InChIKey of [1-[(2-chlorophenyl)methyl]piperidin-3-yl]-(4,4-difluoropiperidin-1-yl)methanone?
The InChIKey is UXDIQJDZELUPGN-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23ClF2N2O/c19-16-6-2-1-4-14(16)12-22-9-3-5-15(13-22)17(24)23-10-7-18(20,21)8-11-23/h1-2,4,6,15H,3,5,7-13H2.
What are the key properties of [1-[(2-chlorophenyl)methyl]piperidin-3-yl]-(4,4-difluoropiperidin-1-yl)methanone?
[1-[(2-chlorophenyl)methyl]piperidin-3-yl]-(4,4-difluoropiperidin-1-yl)methanone has a molecular weight of 356.84 g/mol, XLogP of 3.81, 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-3-yl]-(4,4-difluoropiperidin-1-yl)methanone is sourced from PubChem (CID 163357971), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).