1-[2-amino-1-[4-(difluoromethyl)phenyl]ethyl]-N,N-dimethylpiperidin-3-amine

C16H25F2N3 — CID 115524400

IUPAC1-[2-amino-1-[4-(difluoromethyl)phenyl]ethyl]-N,N-dimethylpiperidin-3-amine
SMILESCN(C)C1CCCN(C(CN)c2ccc(C(F)F)cc2)C1
InChIInChI=1S/C16H25F2N3/c1-20(2)14-4-3-9-21(11-14)15(10-19)12-5-7-13(8-6-12)16(17)18/h5-8,14-16H,3-4,9-11,19H2,1-2H3
InChIKeyUVZWZYHNZBLPKG-UHFFFAOYSA-N
MW297.39 g/mol
LogP2.65
Rot. Bonds5

About 1-[2-amino-1-[4-(difluoromethyl)phenyl]ethyl]-N,N-dimethylpiperidin-3-amine

1-[2-amino-1-[4-(difluoromethyl)phenyl]ethyl]-N,N-dimethylpiperidin-3-amine (PubChem CID 115524400) has the molecular formula C16H25F2N3 and a molecular weight of 297.39 g/mol. Its IUPAC name is 1-[2-amino-1-[4-(difluoromethyl)phenyl]ethyl]-N,N-dimethylpiperidin-3-amine.

Molecular Properties

Compound Name1-[2-amino-1-[4-(difluoromethyl)phenyl]ethyl]-N,N-dimethylpiperidin-3-amine
PubChem CID115524400
Molecular FormulaC16H25F2N3
Molecular Weight297.39 g/mol
Exact Mass297.20
IUPAC Name1-[2-amino-1-[4-(difluoromethyl)phenyl]ethyl]-N,N-dimethylpiperidin-3-amine
SMILESCN(C)C1CCCN(C(CN)c2ccc(C(F)F)cc2)C1
InChIInChI=1S/C16H25F2N3/c1-20(2)14-4-3-9-21(11-14)15(10-19)12-5-7-13(8-6-12)16(17)18/h5-8,14-16H,3-4,9-11,19H2,1-2H3
InChIKeyUVZWZYHNZBLPKG-UHFFFAOYSA-N
XLogP2.65
TPSA32.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.39
LogP ≤ 52.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-[2-amino-1-(4-methylphenyl)ethyl]-N,N-dimethylpyrrolidin-3-amine
CID 63166318
2-[4-(difluoromethyl)phenyl]-2-[3-(methoxymethyl)piperidin-1-yl]ethanamine
CID 106586267
2-(3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl)-2-[4-(difluoromethyl)phenyl]ethanamine
CID 115524407
1-[2-amino-1-(3-bromo-4-methylphenyl)ethyl]-N,N-dimethylpyrrolidin-3-amine
CID 105404983
2-[4-(difluoromethyl)phenyl]-2-(3-methoxy-4-methylpiperidin-1-yl)ethanamine
CID 102964868
1-[2-amino-1-(1,5-dimethylpyrazol-4-yl)ethyl]-N,N-dimethylpiperidin-3-amine
CID 79583598
1-[2-amino-1-(4-fluorophenyl)ethyl]-N,N-diethylpyrrolidin-3-amine
CID 63171490
2-[3-(difluoromethyl)phenyl]-2-(3-methoxypiperidin-1-yl)ethanamine
CID 102965275
1-[2-amino-1-(1-methyl-2,3-dihydroindol-5-yl)ethyl]-N,N-dimethylpyrrolidin-3-amine
CID 63166554
1-[2-amino-1-(4-bromophenyl)ethyl]piperidin-3-ol
CID 55015978
(2R)-2-[(3S)-3-methylpiperidin-1-yl]-2-phenylethanamine
CID 9160808
1-[2-amino-1-(1-ethylpyrazol-4-yl)ethyl]-N,N-dimethylpyrrolidin-3-amine
CID 103569603

Frequently Asked Questions

What is the IUPAC name of 1-[2-amino-1-[4-(difluoromethyl)phenyl]ethyl]-N,N-dimethylpiperidin-3-amine?
The IUPAC name of 1-[2-amino-1-[4-(difluoromethyl)phenyl]ethyl]-N,N-dimethylpiperidin-3-amine (CID 115524400) is 1-[2-amino-1-[4-(difluoromethyl)phenyl]ethyl]-N,N-dimethylpiperidin-3-amine.
What is the SMILES notation for 1-[2-amino-1-[4-(difluoromethyl)phenyl]ethyl]-N,N-dimethylpiperidin-3-amine?
The canonical SMILES for 1-[2-amino-1-[4-(difluoromethyl)phenyl]ethyl]-N,N-dimethylpiperidin-3-amine is CN(C)C1CCCN(C(CN)c2ccc(C(F)F)cc2)C1.
What is the InChIKey of 1-[2-amino-1-[4-(difluoromethyl)phenyl]ethyl]-N,N-dimethylpiperidin-3-amine?
The InChIKey is UVZWZYHNZBLPKG-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25F2N3/c1-20(2)14-4-3-9-21(11-14)15(10-19)12-5-7-13(8-6-12)16(17)18/h5-8,14-16H,3-4,9-11,19H2,1-2H3.
What are the key properties of 1-[2-amino-1-[4-(difluoromethyl)phenyl]ethyl]-N,N-dimethylpiperidin-3-amine?
1-[2-amino-1-[4-(difluoromethyl)phenyl]ethyl]-N,N-dimethylpiperidin-3-amine has a molecular weight of 297.39 g/mol, XLogP of 2.65, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-amino-1-[4-(difluoromethyl)phenyl]ethyl]-N,N-dimethylpiperidin-3-amine is sourced from PubChem (CID 115524400), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).