[1-[(2-chloro-6-fluorophenyl)methyl]piperidin-4-yl]-(4,4-difluoropiperidin-1-yl)methanone

C18H22ClF3N2O — CID 155976184

IUPAC[1-[(2-chloro-6-fluorophenyl)methyl]piperidin-4-yl]-(4,4-difluoropiperidin-1-yl)methanone
SMILESO=C(C1CCN(Cc2c(F)cccc2Cl)CC1)N1CCC(F)(F)CC1
InChIInChI=1S/C18H22ClF3N2O/c19-15-2-1-3-16(20)14(15)12-23-8-4-13(5-9-23)17(25)24-10-6-18(21,22)7-11-24/h1-3,13H,4-12H2
InChIKeyITEBDWFPWUBHOM-UHFFFAOYSA-N
MW374.83 g/mol
LogP3.95
Rot. Bonds3

About [1-[(2-chloro-6-fluorophenyl)methyl]piperidin-4-yl]-(4,4-difluoropiperidin-1-yl)methanone

[1-[(2-chloro-6-fluorophenyl)methyl]piperidin-4-yl]-(4,4-difluoropiperidin-1-yl)methanone (PubChem CID 155976184) has the molecular formula C18H22ClF3N2O and a molecular weight of 374.83 g/mol. Its IUPAC name is [1-[(2-chloro-6-fluorophenyl)methyl]piperidin-4-yl]-(4,4-difluoropiperidin-1-yl)methanone.

Molecular Properties

Compound Name[1-[(2-chloro-6-fluorophenyl)methyl]piperidin-4-yl]-(4,4-difluoropiperidin-1-yl)methanone
PubChem CID155976184
Molecular FormulaC18H22ClF3N2O
Molecular Weight374.83 g/mol
Exact Mass374.14
IUPAC Name[1-[(2-chloro-6-fluorophenyl)methyl]piperidin-4-yl]-(4,4-difluoropiperidin-1-yl)methanone
SMILESO=C(C1CCN(Cc2c(F)cccc2Cl)CC1)N1CCC(F)(F)CC1
InChIInChI=1S/C18H22ClF3N2O/c19-15-2-1-3-16(20)14(15)12-23-8-4-13(5-9-23)17(25)24-10-6-18(21,22)7-11-24/h1-3,13H,4-12H2
InChIKeyITEBDWFPWUBHOM-UHFFFAOYSA-N
XLogP3.95
TPSA23.55 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.83
LogP ≤ 53.95
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

[1-[(2-chloro-6-fluorophenyl)methyl]piperidin-4-yl]-piperidin-1-ylmethanone
CID 25249332
1-[1-[(2-chloro-6-fluorophenyl)methyl]piperidine-4-carbonyl]piperidine-4-carboxamide
CID 25246880
[1-[(2-chloro-6-fluorophenyl)methyl]piperidin-4-yl]-(3-methylpiperidin-1-yl)methanone
CID 3148930
[4-[(2-chloro-6-fluorophenyl)methyl]piperazin-1-yl]-(1-methylsulfonylpiperidin-4-yl)methanone
CID 17022662
1-[(2-chloro-6-fluorophenyl)methyl]-N-(2-chlorophenyl)piperidine-4-carboxamide
CID 45018841
N-tert-butyl-1-[(2-chloro-6-fluorophenyl)methyl]piperidine-4-carboxamide
CID 25249339
1-[(2-chloro-6-fluorophenyl)methyl]-N-(4-methylphenyl)piperidine-4-carboxamide
CID 45009865
1-[(2-chloro-6-fluorophenyl)methyl]-N-cyclooctylpiperidine-4-carboxamide
CID 45015159
1-[(2-chloro-6-fluorophenyl)methyl]pyrrolidine-3-carboxamide
CID 68537453
1-[(2-chloro-6-fluorophenyl)methyl]-N-(2,6-dimethylphenyl)piperidine-4-carboxamide
CID 40921987
(3-aminocyclopentyl)-[4-[(2-chloro-6-fluorophenyl)methyl]piperazin-1-yl]methanone;dihydrochloride
CID 119832897
1-[(2-chloro-6-fluorophenyl)methyl]-N-[(1R)-1-phenylethyl]piperidine-4-carboxamide
CID 7316831

Frequently Asked Questions

What is the IUPAC name of [1-[(2-chloro-6-fluorophenyl)methyl]piperidin-4-yl]-(4,4-difluoropiperidin-1-yl)methanone?
The IUPAC name of [1-[(2-chloro-6-fluorophenyl)methyl]piperidin-4-yl]-(4,4-difluoropiperidin-1-yl)methanone (CID 155976184) is [1-[(2-chloro-6-fluorophenyl)methyl]piperidin-4-yl]-(4,4-difluoropiperidin-1-yl)methanone.
What is the SMILES notation for [1-[(2-chloro-6-fluorophenyl)methyl]piperidin-4-yl]-(4,4-difluoropiperidin-1-yl)methanone?
The canonical SMILES for [1-[(2-chloro-6-fluorophenyl)methyl]piperidin-4-yl]-(4,4-difluoropiperidin-1-yl)methanone is O=C(C1CCN(Cc2c(F)cccc2Cl)CC1)N1CCC(F)(F)CC1.
What is the InChIKey of [1-[(2-chloro-6-fluorophenyl)methyl]piperidin-4-yl]-(4,4-difluoropiperidin-1-yl)methanone?
The InChIKey is ITEBDWFPWUBHOM-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22ClF3N2O/c19-15-2-1-3-16(20)14(15)12-23-8-4-13(5-9-23)17(25)24-10-6-18(21,22)7-11-24/h1-3,13H,4-12H2.
What are the key properties of [1-[(2-chloro-6-fluorophenyl)methyl]piperidin-4-yl]-(4,4-difluoropiperidin-1-yl)methanone?
[1-[(2-chloro-6-fluorophenyl)methyl]piperidin-4-yl]-(4,4-difluoropiperidin-1-yl)methanone has a molecular weight of 374.83 g/mol, XLogP of 3.95, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [1-[(2-chloro-6-fluorophenyl)methyl]piperidin-4-yl]-(4,4-difluoropiperidin-1-yl)methanone is sourced from PubChem (CID 155976184), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).