(3-aminopiperidin-1-yl)-[3-(difluoromethyl)phenyl]methanone

C13H16F2N2O — CID 176515168

IUPAC(3-aminopiperidin-1-yl)-[3-(difluoromethyl)phenyl]methanone
SMILESNC1CCCN(C(=O)c2cccc(C(F)F)c2)C1
InChIInChI=1S/C13H16F2N2O/c14-12(15)9-3-1-4-10(7-9)13(18)17-6-2-5-11(16)8-17/h1,3-4,7,11-12H,2,5-6,8,16H2
InChIKeyRIEJWJNMEYUDLG-UHFFFAOYSA-N
MW254.28 g/mol
LogP2.19
Rot. Bonds2

About (3-aminopiperidin-1-yl)-[3-(difluoromethyl)phenyl]methanone

(3-aminopiperidin-1-yl)-[3-(difluoromethyl)phenyl]methanone (PubChem CID 176515168) has the molecular formula C13H16F2N2O and a molecular weight of 254.28 g/mol. Its IUPAC name is (3-aminopiperidin-1-yl)-[3-(difluoromethyl)phenyl]methanone.

Molecular Properties

Compound Name(3-aminopiperidin-1-yl)-[3-(difluoromethyl)phenyl]methanone
PubChem CID176515168
Molecular FormulaC13H16F2N2O
Molecular Weight254.28 g/mol
Exact Mass254.12
IUPAC Name(3-aminopiperidin-1-yl)-[3-(difluoromethyl)phenyl]methanone
SMILESNC1CCCN(C(=O)c2cccc(C(F)F)c2)C1
InChIInChI=1S/C13H16F2N2O/c14-12(15)9-3-1-4-10(7-9)13(18)17-6-2-5-11(16)8-17/h1,3-4,7,11-12H,2,5-6,8,16H2
InChIKeyRIEJWJNMEYUDLG-UHFFFAOYSA-N
XLogP2.19
TPSA46.33 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 ≤ 52.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(3-aminopiperidin-1-yl)-(3-sulfanylphenyl)methanone
CID 107023968
(3-aminopiperidin-1-yl)-(3-bromophenyl)methanone;hydrochloride
CID 119377080
(3-aminopiperidin-1-yl)-(3-methylsulfanylphenyl)methanone
CID 141208538
methyl 3-(3-aminopiperidine-1-carbonyl)benzoate
CID 176515174
3-azabicyclo[3.1.0]hexan-3-yl-[3-(difluoromethyl)phenyl]methanone
CID 168961119
(3-aminopiperidin-1-yl)-(3-fluoro-4-methylphenyl)methanone
CID 61297571
[(3R)-3-aminopiperidin-1-yl]-(2,6-difluorophenyl)methanone
CID 102978457
3-(3-aminopiperidine-1-carbonyl)-N-propylbenzamide
CID 119377560
1-[2-[3-(3-aminopiperidine-1-carbonyl)phenyl]phenyl]ethanone
CID 119062026
(3-aminopiperidin-1-yl)-(3,4-dimethylphenyl)methanone;hydrochloride
CID 119381443
(3-aminopiperidin-1-yl)-(2,3-dihydro-1H-inden-5-yl)methanone
CID 61298118
(3-aminopiperidin-1-yl)-[3-[(2,5-dimethylphenyl)sulfanylmethyl]phenyl]methanone
CID 119381254

Frequently Asked Questions

What is the IUPAC name of (3-aminopiperidin-1-yl)-[3-(difluoromethyl)phenyl]methanone?
The IUPAC name of (3-aminopiperidin-1-yl)-[3-(difluoromethyl)phenyl]methanone (CID 176515168) is (3-aminopiperidin-1-yl)-[3-(difluoromethyl)phenyl]methanone.
What is the SMILES notation for (3-aminopiperidin-1-yl)-[3-(difluoromethyl)phenyl]methanone?
The canonical SMILES for (3-aminopiperidin-1-yl)-[3-(difluoromethyl)phenyl]methanone is NC1CCCN(C(=O)c2cccc(C(F)F)c2)C1.
What is the InChIKey of (3-aminopiperidin-1-yl)-[3-(difluoromethyl)phenyl]methanone?
The InChIKey is RIEJWJNMEYUDLG-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16F2N2O/c14-12(15)9-3-1-4-10(7-9)13(18)17-6-2-5-11(16)8-17/h1,3-4,7,11-12H,2,5-6,8,16H2.
What are the key properties of (3-aminopiperidin-1-yl)-[3-(difluoromethyl)phenyl]methanone?
(3-aminopiperidin-1-yl)-[3-(difluoromethyl)phenyl]methanone has a molecular weight of 254.28 g/mol, XLogP of 2.19, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3-aminopiperidin-1-yl)-[3-(difluoromethyl)phenyl]methanone is sourced from PubChem (CID 176515168), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).