(3,3-difluoropiperidin-1-yl)-[3-(methylamino)phenyl]methanone

C13H16F2N2O — CID 116991445

IUPAC(3,3-difluoropiperidin-1-yl)-[3-(methylamino)phenyl]methanone
SMILESCNc1cccc(C(=O)N2CCCC(F)(F)C2)c1
InChIInChI=1S/C13H16F2N2O/c1-16-11-5-2-4-10(8-11)12(18)17-7-3-6-13(14,15)9-17/h2,4-5,8,16H,3,6-7,9H2,1H3
InChIKeyLVKOYYGPHZIYME-UHFFFAOYSA-N
MW254.28 g/mol
LogP2.60
Rot. Bonds2

About (3,3-difluoropiperidin-1-yl)-[3-(methylamino)phenyl]methanone

(3,3-difluoropiperidin-1-yl)-[3-(methylamino)phenyl]methanone (PubChem CID 116991445) has the molecular formula C13H16F2N2O and a molecular weight of 254.28 g/mol. Its IUPAC name is (3,3-difluoropiperidin-1-yl)-[3-(methylamino)phenyl]methanone.

Molecular Properties

Compound Name(3,3-difluoropiperidin-1-yl)-[3-(methylamino)phenyl]methanone
PubChem CID116991445
Molecular FormulaC13H16F2N2O
Molecular Weight254.28 g/mol
Exact Mass254.12
IUPAC Name(3,3-difluoropiperidin-1-yl)-[3-(methylamino)phenyl]methanone
SMILESCNc1cccc(C(=O)N2CCCC(F)(F)C2)c1
InChIInChI=1S/C13H16F2N2O/c1-16-11-5-2-4-10(8-11)12(18)17-7-3-6-13(14,15)9-17/h2,4-5,8,16H,3,6-7,9H2,1H3
InChIKeyLVKOYYGPHZIYME-UHFFFAOYSA-N
XLogP2.60
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.28
LogP ≤ 52.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

[3-(methylamino)phenyl]-pyrrolidin-1-ylmethanone
CID 70790157
tert-butyl 4-[3-(methylamino)benzoyl]piperazine-1-carboxylate
CID 166845071
(3,3-difluoropiperidin-1-yl)-[5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)naphthalen-2-yl]methanone
CID 171396815
(3-bromophenyl)-(3-hydroxy-3-methylpiperidin-1-yl)methanone
CID 115875011
(3,3-difluoropiperidin-1-yl)-(4-methyl-3-piperidin-4-ylphenyl)methanone;hydrochloride
CID 171361863
CID 175633312
CID 175633312
[3-chloro-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]-(3,3-difluoropiperidin-1-yl)methanone
CID 176731327
[3-(methylamino)phenyl]-(2-methylpyrrolidin-1-yl)methanone
CID 83625399
(3-aminophenyl)-(3,3-dimethylpiperidin-1-yl)methanone;hydrochloride
CID 119734697
N-[3-(3,3-dimethyl-1,4-diazepane-1-carbonyl)phenyl]acetamide
CID 82250549
1-(3-bromobenzoyl)-3-methylpiperidine-3-carboxylic acid
CID 63133748
(5R)-9-(3-fluorobenzoyl)-N-propan-2-yl-2,9-diazaspiro[4.5]decane-2-carboxamide
CID 3234584

Frequently Asked Questions

What is the IUPAC name of (3,3-difluoropiperidin-1-yl)-[3-(methylamino)phenyl]methanone?
The IUPAC name of (3,3-difluoropiperidin-1-yl)-[3-(methylamino)phenyl]methanone (CID 116991445) is (3,3-difluoropiperidin-1-yl)-[3-(methylamino)phenyl]methanone.
What is the SMILES notation for (3,3-difluoropiperidin-1-yl)-[3-(methylamino)phenyl]methanone?
The canonical SMILES for (3,3-difluoropiperidin-1-yl)-[3-(methylamino)phenyl]methanone is CNc1cccc(C(=O)N2CCCC(F)(F)C2)c1.
What is the InChIKey of (3,3-difluoropiperidin-1-yl)-[3-(methylamino)phenyl]methanone?
The InChIKey is LVKOYYGPHZIYME-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16F2N2O/c1-16-11-5-2-4-10(8-11)12(18)17-7-3-6-13(14,15)9-17/h2,4-5,8,16H,3,6-7,9H2,1H3.
What are the key properties of (3,3-difluoropiperidin-1-yl)-[3-(methylamino)phenyl]methanone?
(3,3-difluoropiperidin-1-yl)-[3-(methylamino)phenyl]methanone has a molecular weight of 254.28 g/mol, XLogP of 2.60, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3,3-difluoropiperidin-1-yl)-[3-(methylamino)phenyl]methanone is sourced from PubChem (CID 116991445), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).