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

C14H18F2N2O — CID 115275913

IUPAC(3-amino-2,2-dimethylpiperidin-1-yl)-(2,5-difluorophenyl)methanone
SMILESCC1(C)C(N)CCCN1C(=O)c1cc(F)ccc1F
InChIInChI=1S/C14H18F2N2O/c1-14(2)12(17)4-3-7-18(14)13(19)10-8-9(15)5-6-11(10)16/h5-6,8,12H,3-4,7,17H2,1-2H3
InChIKeyWSIALAPMYZSNMI-UHFFFAOYSA-N
MW268.31 g/mol
LogP2.31
Rot. Bonds1

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

(3-amino-2,2-dimethylpiperidin-1-yl)-(2,5-difluorophenyl)methanone (PubChem CID 115275913) has the molecular formula C14H18F2N2O and a molecular weight of 268.31 g/mol. Its IUPAC name is (3-amino-2,2-dimethylpiperidin-1-yl)-(2,5-difluorophenyl)methanone.

Molecular Properties

Compound Name(3-amino-2,2-dimethylpiperidin-1-yl)-(2,5-difluorophenyl)methanone
PubChem CID115275913
Molecular FormulaC14H18F2N2O
Molecular Weight268.31 g/mol
Exact Mass268.14
IUPAC Name(3-amino-2,2-dimethylpiperidin-1-yl)-(2,5-difluorophenyl)methanone
SMILESCC1(C)C(N)CCCN1C(=O)c1cc(F)ccc1F
InChIInChI=1S/C14H18F2N2O/c1-14(2)12(17)4-3-7-18(14)13(19)10-8-9(15)5-6-11(10)16/h5-6,8,12H,3-4,7,17H2,1-2H3
InChIKeyWSIALAPMYZSNMI-UHFFFAOYSA-N
XLogP2.31
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 ≤ 52.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(3-amino-2,2-dimethylpyrrolidin-1-yl)-(2,5-difluorophenyl)methanone
CID 115275242
(3-amino-2,2-dimethylpyrrolidin-1-yl)-(2,4-difluorophenyl)methanone
CID 115275243
(4-amino-2,2-dimethylpiperidin-1-yl)-(2,5-difluorophenyl)methanone
CID 115276128
(4-amino-3,3-dimethylpiperidin-1-yl)-(2,5-difluorophenyl)methanone
CID 115276648
(3-aminopiperidin-1-yl)-(2,5-difluorophenyl)methanone;hydrochloride
CID 119378374
(3-amino-4,4-dimethylpiperidin-1-yl)-(2,5-difluorophenyl)methanone
CID 115276861
[2-(aminomethyl)pyrrolidin-1-yl]-(2,5-difluorophenyl)methanone;hydrochloride
CID 119631884
[(2R,3R)-2-(aminomethyl)-3-methylpiperidin-1-yl]-(2,5-difluorophenyl)methanone
CID 95357640
(4-amino-2,2-dimethylpiperidin-1-yl)-(2,4-difluorophenyl)methanone
CID 115276129
methyl 1-(2,5-difluorobenzoyl)pyrrolidine-2-carboxylate
CID 43410121
(3-amino-2,2-dimethylpyrrolidin-1-yl)-(3-fluoro-4-methoxyphenyl)methanone
CID 115275231
(4-amino-3,3-dimethylpiperidin-1-yl)-(2,4-difluorophenyl)methanone
CID 115276649

Frequently Asked Questions

What is the IUPAC name of (3-amino-2,2-dimethylpiperidin-1-yl)-(2,5-difluorophenyl)methanone?
The IUPAC name of (3-amino-2,2-dimethylpiperidin-1-yl)-(2,5-difluorophenyl)methanone (CID 115275913) is (3-amino-2,2-dimethylpiperidin-1-yl)-(2,5-difluorophenyl)methanone.
What is the SMILES notation for (3-amino-2,2-dimethylpiperidin-1-yl)-(2,5-difluorophenyl)methanone?
The canonical SMILES for (3-amino-2,2-dimethylpiperidin-1-yl)-(2,5-difluorophenyl)methanone is CC1(C)C(N)CCCN1C(=O)c1cc(F)ccc1F.
What is the InChIKey of (3-amino-2,2-dimethylpiperidin-1-yl)-(2,5-difluorophenyl)methanone?
The InChIKey is WSIALAPMYZSNMI-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18F2N2O/c1-14(2)12(17)4-3-7-18(14)13(19)10-8-9(15)5-6-11(10)16/h5-6,8,12H,3-4,7,17H2,1-2H3.
What are the key properties of (3-amino-2,2-dimethylpiperidin-1-yl)-(2,5-difluorophenyl)methanone?
(3-amino-2,2-dimethylpiperidin-1-yl)-(2,5-difluorophenyl)methanone has a molecular weight of 268.31 g/mol, XLogP of 2.31, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3-amino-2,2-dimethylpiperidin-1-yl)-(2,5-difluorophenyl)methanone is sourced from PubChem (CID 115275913), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).