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

C14H18F2N2O — CID 115276861

IUPAC(3-amino-4,4-dimethylpiperidin-1-yl)-(2,5-difluorophenyl)methanone
SMILESCC1(C)CCN(C(=O)c2cc(F)ccc2F)CC1N
InChIInChI=1S/C14H18F2N2O/c1-14(2)5-6-18(8-12(14)17)13(19)10-7-9(15)3-4-11(10)16/h3-4,7,12H,5-6,8,17H2,1-2H3
InChIKeyWQOQRNOMRHMABI-UHFFFAOYSA-N
MW268.31 g/mol
LogP2.16
Rot. Bonds1

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

(3-amino-4,4-dimethylpiperidin-1-yl)-(2,5-difluorophenyl)methanone (PubChem CID 115276861) has the molecular formula C14H18F2N2O and a molecular weight of 268.31 g/mol. Its IUPAC name is (3-amino-4,4-dimethylpiperidin-1-yl)-(2,5-difluorophenyl)methanone.

Molecular Properties

Compound Name(3-amino-4,4-dimethylpiperidin-1-yl)-(2,5-difluorophenyl)methanone
PubChem CID115276861
Molecular FormulaC14H18F2N2O
Molecular Weight268.31 g/mol
Exact Mass268.14
IUPAC Name(3-amino-4,4-dimethylpiperidin-1-yl)-(2,5-difluorophenyl)methanone
SMILESCC1(C)CCN(C(=O)c2cc(F)ccc2F)CC1N
InChIInChI=1S/C14H18F2N2O/c1-14(2)5-6-18(8-12(14)17)13(19)10-7-9(15)3-4-11(10)16/h3-4,7,12H,5-6,8,17H2,1-2H3
InChIKeyWQOQRNOMRHMABI-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)-(2,5-difluorophenyl)methanone
CID 115276648
(3-amino-2,2-dimethylpyrrolidin-1-yl)-(2,5-difluorophenyl)methanone
CID 115275242
(3-aminopiperidin-1-yl)-(2,5-difluorophenyl)methanone;hydrochloride
CID 119378374
(3-amino-2,2-dimethylpiperidin-1-yl)-(2,5-difluorophenyl)methanone
CID 115275913
(4-amino-3,3-dimethylpiperidin-1-yl)-(2,4-difluorophenyl)methanone
CID 115276649
(3-chloro-4-methylpiperidin-1-yl)-(2,5-difluorophenyl)methanone
CID 102961379
(3-bromo-4-methylpiperidin-1-yl)-(2,5-difluorophenyl)methanone
CID 102962015
[3-(aminomethyl)pyrrolidin-1-yl]-(2,5-difluorophenyl)methanone;hydrochloride
CID 119484302
(2,5-difluorophenyl)-[3-(1-hydroxyethyl)pyrrolidin-1-yl]methanone
CID 112627195
(5-chloro-2-fluorophenyl)-[(3S,4R)-3,4-dihydroxy-4-methylpiperidin-1-yl]methanone
CID 72912955
(4-amino-3,3-dimethylpiperidin-1-yl)-(5-fluoro-2-methylphenyl)methanone
CID 120815954
(4-amino-2,2-dimethylpiperidin-1-yl)-(2,5-difluorophenyl)methanone
CID 115276128

Frequently Asked Questions

What is the IUPAC name of (3-amino-4,4-dimethylpiperidin-1-yl)-(2,5-difluorophenyl)methanone?
The IUPAC name of (3-amino-4,4-dimethylpiperidin-1-yl)-(2,5-difluorophenyl)methanone (CID 115276861) is (3-amino-4,4-dimethylpiperidin-1-yl)-(2,5-difluorophenyl)methanone.
What is the SMILES notation for (3-amino-4,4-dimethylpiperidin-1-yl)-(2,5-difluorophenyl)methanone?
The canonical SMILES for (3-amino-4,4-dimethylpiperidin-1-yl)-(2,5-difluorophenyl)methanone is CC1(C)CCN(C(=O)c2cc(F)ccc2F)CC1N.
What is the InChIKey of (3-amino-4,4-dimethylpiperidin-1-yl)-(2,5-difluorophenyl)methanone?
The InChIKey is WQOQRNOMRHMABI-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18F2N2O/c1-14(2)5-6-18(8-12(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 (3-amino-4,4-dimethylpiperidin-1-yl)-(2,5-difluorophenyl)methanone?
(3-amino-4,4-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 (3-amino-4,4-dimethylpiperidin-1-yl)-(2,5-difluorophenyl)methanone is sourced from PubChem (CID 115276861), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).