(4-amino-3,3-dimethylpiperidin-1-yl)-(3,4-difluorophenyl)methanone;hydrochloride

C14H19ClF2N2O — CID 120814455

IUPAC(4-amino-3,3-dimethylpiperidin-1-yl)-(3,4-difluorophenyl)methanone;hydrochloride
SMILESCC1(C)CN(C(=O)c2ccc(F)c(F)c2)CCC1N.Cl
InChIInChI=1S/C14H18F2N2O.ClH/c1-14(2)8-18(6-5-12(14)17)13(19)9-3-4-10(15)11(16)7-9;/h3-4,7,12H,5-6,8,17H2,1-2H3;1H
InChIKeyPADPIFIFDCXZTO-UHFFFAOYSA-N
MW304.77 g/mol
LogP2.59
Rot. Bonds1

About (4-amino-3,3-dimethylpiperidin-1-yl)-(3,4-difluorophenyl)methanone;hydrochloride

(4-amino-3,3-dimethylpiperidin-1-yl)-(3,4-difluorophenyl)methanone;hydrochloride (PubChem CID 120814455) has the molecular formula C14H19ClF2N2O and a molecular weight of 304.77 g/mol. Its IUPAC name is (4-amino-3,3-dimethylpiperidin-1-yl)-(3,4-difluorophenyl)methanone;hydrochloride.

Molecular Properties

Compound Name(4-amino-3,3-dimethylpiperidin-1-yl)-(3,4-difluorophenyl)methanone;hydrochloride
PubChem CID120814455
Molecular FormulaC14H19ClF2N2O
Molecular Weight304.77 g/mol
Exact Mass304.12
IUPAC Name(4-amino-3,3-dimethylpiperidin-1-yl)-(3,4-difluorophenyl)methanone;hydrochloride
SMILESCC1(C)CN(C(=O)c2ccc(F)c(F)c2)CCC1N.Cl
InChIInChI=1S/C14H18F2N2O.ClH/c1-14(2)8-18(6-5-12(14)17)13(19)9-3-4-10(15)11(16)7-9;/h3-4,7,12H,5-6,8,17H2,1-2H3;1H
InChIKeyPADPIFIFDCXZTO-UHFFFAOYSA-N
XLogP2.59
TPSA46.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.77
LogP ≤ 52.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (4-amino-3,3-dimethylpiperidin-1-yl)-(3,4-difluorophenyl)methanone;hydrochloride?
The IUPAC name of (4-amino-3,3-dimethylpiperidin-1-yl)-(3,4-difluorophenyl)methanone;hydrochloride (CID 120814455) is (4-amino-3,3-dimethylpiperidin-1-yl)-(3,4-difluorophenyl)methanone;hydrochloride.
What is the SMILES notation for (4-amino-3,3-dimethylpiperidin-1-yl)-(3,4-difluorophenyl)methanone;hydrochloride?
The canonical SMILES for (4-amino-3,3-dimethylpiperidin-1-yl)-(3,4-difluorophenyl)methanone;hydrochloride is CC1(C)CN(C(=O)c2ccc(F)c(F)c2)CCC1N.Cl.
What is the InChIKey of (4-amino-3,3-dimethylpiperidin-1-yl)-(3,4-difluorophenyl)methanone;hydrochloride?
The InChIKey is PADPIFIFDCXZTO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18F2N2O.ClH/c1-14(2)8-18(6-5-12(14)17)13(19)9-3-4-10(15)11(16)7-9;/h3-4,7,12H,5-6,8,17H2,1-2H3;1H.
What are the key properties of (4-amino-3,3-dimethylpiperidin-1-yl)-(3,4-difluorophenyl)methanone;hydrochloride?
(4-amino-3,3-dimethylpiperidin-1-yl)-(3,4-difluorophenyl)methanone;hydrochloride has a molecular weight of 304.77 g/mol, XLogP of 2.59, 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)-(3,4-difluorophenyl)methanone;hydrochloride is sourced from PubChem (CID 120814455), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).