(4,4-difluoropiperidin-1-yl)-[4-[(3-fluorophenyl)methyl]-1-methylpiperidin-4-yl]methanone

C19H25F3N2O — CID 110090792

IUPAC(4,4-difluoropiperidin-1-yl)-[4-[(3-fluorophenyl)methyl]-1-methylpiperidin-4-yl]methanone
SMILESCN1CCC(Cc2cccc(F)c2)(C(=O)N2CCC(F)(F)CC2)CC1
InChIInChI=1S/C19H25F3N2O/c1-23-9-5-18(6-10-23,14-15-3-2-4-16(20)13-15)17(25)24-11-7-19(21,22)8-12-24/h2-4,13H,5-12,14H2,1H3
InChIKeyRSAKVZOVVVSKAT-UHFFFAOYSA-N
MW354.42 g/mol
LogP3.34
Rot. Bonds3

About (4,4-difluoropiperidin-1-yl)-[4-[(3-fluorophenyl)methyl]-1-methylpiperidin-4-yl]methanone

(4,4-difluoropiperidin-1-yl)-[4-[(3-fluorophenyl)methyl]-1-methylpiperidin-4-yl]methanone (PubChem CID 110090792) has the molecular formula C19H25F3N2O and a molecular weight of 354.42 g/mol. Its IUPAC name is (4,4-difluoropiperidin-1-yl)-[4-[(3-fluorophenyl)methyl]-1-methylpiperidin-4-yl]methanone.

Molecular Properties

Compound Name(4,4-difluoropiperidin-1-yl)-[4-[(3-fluorophenyl)methyl]-1-methylpiperidin-4-yl]methanone
PubChem CID110090792
Molecular FormulaC19H25F3N2O
Molecular Weight354.42 g/mol
Exact Mass354.19
IUPAC Name(4,4-difluoropiperidin-1-yl)-[4-[(3-fluorophenyl)methyl]-1-methylpiperidin-4-yl]methanone
SMILESCN1CCC(Cc2cccc(F)c2)(C(=O)N2CCC(F)(F)CC2)CC1
InChIInChI=1S/C19H25F3N2O/c1-23-9-5-18(6-10-23,14-15-3-2-4-16(20)13-15)17(25)24-11-7-19(21,22)8-12-24/h2-4,13H,5-12,14H2,1H3
InChIKeyRSAKVZOVVVSKAT-UHFFFAOYSA-N
XLogP3.34
TPSA23.55 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.42
LogP ≤ 53.34
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

N-(cyclopropylmethyl)-4-[(3-fluorophenyl)methyl]-1-methylpiperidine-4-carboxamide
CID 110111262
[(4S,5S)-4-(6-aminopurin-9-yl)-5-hydroxyazepan-1-yl]-[4-[(3-fluorophenyl)methyl]-1-methylpiperidin-4-yl]methanone
CID 110155438
N-[(3S)-1,1-dioxothiolan-3-yl]-4-[(3-fluorophenyl)methyl]-1-methylpiperidine-4-carboxamide
CID 124999884
[1-[(3-fluorophenyl)methyl]cyclohexyl]-[3-(1H-1,2,4-triazol-5-yl)piperidin-1-yl]methanone
CID 126810198
(4-benzylpiperidin-4-yl)-(4-methylpiperazin-1-yl)methanone
CID 22741766
1-[4-[(3-fluorophenyl)methyl]-4-[(3R)-3-(6-methylpyrazin-2-yl)piperidine-1-carbonyl]piperidin-1-yl]ethanone
CID 124959010
1-[(3-fluorophenyl)methyl]cyclobutane-1-carboxylic acid
CID 65194237
4-[(3-fluorophenyl)methylamino]-1-methylpiperidine-4-carboxamide
CID 70952142
3-[(4,4-difluoropiperidine-1-carbonyl)-[(3-fluorophenyl)methyl]amino]propanoic acid
CID 166279178
(3R)-3-[(3-fluorophenyl)methyl]-1-[(2-methylpropan-2-yl)oxycarbonyl]piperidine-3-carboxylic acid
CID 124673216
tert-butyl 3-amino-3-[(3-fluorophenyl)methyl]pyrrolidine-1-carboxylate
CID 162422818
tert-butyl 4-(aminomethyl)-4-[(3-fluorophenyl)methyl]piperidine-1-carboxylate
CID 86277812

Frequently Asked Questions

What is the IUPAC name of (4,4-difluoropiperidin-1-yl)-[4-[(3-fluorophenyl)methyl]-1-methylpiperidin-4-yl]methanone?
The IUPAC name of (4,4-difluoropiperidin-1-yl)-[4-[(3-fluorophenyl)methyl]-1-methylpiperidin-4-yl]methanone (CID 110090792) is (4,4-difluoropiperidin-1-yl)-[4-[(3-fluorophenyl)methyl]-1-methylpiperidin-4-yl]methanone.
What is the SMILES notation for (4,4-difluoropiperidin-1-yl)-[4-[(3-fluorophenyl)methyl]-1-methylpiperidin-4-yl]methanone?
The canonical SMILES for (4,4-difluoropiperidin-1-yl)-[4-[(3-fluorophenyl)methyl]-1-methylpiperidin-4-yl]methanone is CN1CCC(Cc2cccc(F)c2)(C(=O)N2CCC(F)(F)CC2)CC1.
What is the InChIKey of (4,4-difluoropiperidin-1-yl)-[4-[(3-fluorophenyl)methyl]-1-methylpiperidin-4-yl]methanone?
The InChIKey is RSAKVZOVVVSKAT-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H25F3N2O/c1-23-9-5-18(6-10-23,14-15-3-2-4-16(20)13-15)17(25)24-11-7-19(21,22)8-12-24/h2-4,13H,5-12,14H2,1H3.
What are the key properties of (4,4-difluoropiperidin-1-yl)-[4-[(3-fluorophenyl)methyl]-1-methylpiperidin-4-yl]methanone?
(4,4-difluoropiperidin-1-yl)-[4-[(3-fluorophenyl)methyl]-1-methylpiperidin-4-yl]methanone has a molecular weight of 354.42 g/mol, XLogP of 3.34, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (4,4-difluoropiperidin-1-yl)-[4-[(3-fluorophenyl)methyl]-1-methylpiperidin-4-yl]methanone is sourced from PubChem (CID 110090792), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).