(4-amino-3,3-dimethylpiperidin-1-yl)-(2,5-difluorophenyl)methanone

C14H18F2N2O — CID 115276648

IUPAC(4-amino-3,3-dimethylpiperidin-1-yl)-(2,5-difluorophenyl)methanone
SMILESCC1(C)CN(C(=O)c2cc(F)ccc2F)CCC1N
InChIInChI=1S/C14H18F2N2O/c1-14(2)8-18(6-5-12(14)17)13(19)10-7-9(15)3-4-11(10)16/h3-4,7,12H,5-6,8,17H2,1-2H3
InChIKeyVIWKTJCSDUFNCY-UHFFFAOYSA-N
MW268.31 g/mol
LogP2.16
Rot. Bonds1

About (4-amino-3,3-dimethylpiperidin-1-yl)-(2,5-difluorophenyl)methanone

(4-amino-3,3-dimethylpiperidin-1-yl)-(2,5-difluorophenyl)methanone (PubChem CID 115276648) has the molecular formula C14H18F2N2O and a molecular weight of 268.31 g/mol. Its IUPAC name is (4-amino-3,3-dimethylpiperidin-1-yl)-(2,5-difluorophenyl)methanone.

Molecular Properties

Compound Name(4-amino-3,3-dimethylpiperidin-1-yl)-(2,5-difluorophenyl)methanone
PubChem CID115276648
Molecular FormulaC14H18F2N2O
Molecular Weight268.31 g/mol
Exact Mass268.14
IUPAC Name(4-amino-3,3-dimethylpiperidin-1-yl)-(2,5-difluorophenyl)methanone
SMILESCC1(C)CN(C(=O)c2cc(F)ccc2F)CCC1N
InChIInChI=1S/C14H18F2N2O/c1-14(2)8-18(6-5-12(14)17)13(19)10-7-9(15)3-4-11(10)16/h3-4,7,12H,5-6,8,17H2,1-2H3
InChIKeyVIWKTJCSDUFNCY-UHFFFAOYSA-N
XLogP2.16
TPSA46.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.31
LogP ≤ 52.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(4-amino-3,3-dimethylpiperidin-1-yl)-(2,4-difluorophenyl)methanone
CID 115276649
(4-amino-3,3-dimethylpiperidin-1-yl)-(5-fluoro-2-methylphenyl)methanone
CID 120815954
(4-amino-3,3-dimethylpiperidin-1-yl)-(2-chloro-4-fluorophenyl)methanone
CID 120820405
(4-amino-3,3-dimethylpiperidin-1-yl)-(2,4-dichlorophenyl)methanone
CID 120817946
(3-amino-4,4-dimethylpiperidin-1-yl)-(2,5-difluorophenyl)methanone
CID 115276861
N-[3-(4-amino-3,3-dimethylpiperidine-1-carbonyl)-4-fluorophenyl]-2,2-dimethylpropanamide;hydrochloride
CID 120818997
(4-amino-3,3-dimethylpiperidin-1-yl)-(3,4-difluorophenyl)methanone;hydrochloride
CID 120814455
(4-amino-3,3-dimethylpiperidin-1-yl)-[5-chloro-2-(4-fluorophenoxy)phenyl]methanone;hydrochloride
CID 120815805
(3-amino-2,2-dimethylpyrrolidin-1-yl)-(2,5-difluorophenyl)methanone
CID 115275242
(4-amino-3,3-dimethylpiperidin-1-yl)-[1-(4-fluorophenyl)-2,5-dimethylpyrrol-3-yl]methanone
CID 120820413
4-(4-amino-3,3-dimethylpiperidine-1-carbonyl)-7-fluoro-1H-quinolin-2-one;hydrochloride
CID 120814282
(4-amino-3,3-dimethylpiperidin-1-yl)-(2-chloro-3-fluorophenyl)methanone
CID 120814331

Frequently Asked Questions

What is the IUPAC name of (4-amino-3,3-dimethylpiperidin-1-yl)-(2,5-difluorophenyl)methanone?
The IUPAC name of (4-amino-3,3-dimethylpiperidin-1-yl)-(2,5-difluorophenyl)methanone (CID 115276648) is (4-amino-3,3-dimethylpiperidin-1-yl)-(2,5-difluorophenyl)methanone.
What is the SMILES notation for (4-amino-3,3-dimethylpiperidin-1-yl)-(2,5-difluorophenyl)methanone?
The canonical SMILES for (4-amino-3,3-dimethylpiperidin-1-yl)-(2,5-difluorophenyl)methanone is CC1(C)CN(C(=O)c2cc(F)ccc2F)CCC1N.
What is the InChIKey of (4-amino-3,3-dimethylpiperidin-1-yl)-(2,5-difluorophenyl)methanone?
The InChIKey is VIWKTJCSDUFNCY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18F2N2O/c1-14(2)8-18(6-5-12(14)17)13(19)10-7-9(15)3-4-11(10)16/h3-4,7,12H,5-6,8,17H2,1-2H3.
What are the key properties of (4-amino-3,3-dimethylpiperidin-1-yl)-(2,5-difluorophenyl)methanone?
(4-amino-3,3-dimethylpiperidin-1-yl)-(2,5-difluorophenyl)methanone has a molecular weight of 268.31 g/mol, XLogP of 2.16, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (4-amino-3,3-dimethylpiperidin-1-yl)-(2,5-difluorophenyl)methanone is sourced from PubChem (CID 115276648), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).