3,3-difluoro-N-methyl-1-[2-[4-(trifluoromethyl)phenyl]ethyl]piperidin-4-amine

C15H19F5N2 — CID 122445265

IUPAC3,3-difluoro-N-methyl-1-[2-[4-(trifluoromethyl)phenyl]ethyl]piperidin-4-amine
SMILESCNC1CCN(CCc2ccc(C(F)(F)F)cc2)CC1(F)F
InChIInChI=1S/C15H19F5N2/c1-21-13-7-9-22(10-14(13,16)17)8-6-11-2-4-12(5-3-11)15(18,19)20/h2-5,13,21H,6-10H2,1H3
InChIKeyIDPDXTHARRQCGI-UHFFFAOYSA-N
MW322.32 g/mol
LogP3.18
Rot. Bonds4

About 3,3-difluoro-N-methyl-1-[2-[4-(trifluoromethyl)phenyl]ethyl]piperidin-4-amine

3,3-difluoro-N-methyl-1-[2-[4-(trifluoromethyl)phenyl]ethyl]piperidin-4-amine (PubChem CID 122445265) has the molecular formula C15H19F5N2 and a molecular weight of 322.32 g/mol. Its IUPAC name is 3,3-difluoro-N-methyl-1-[2-[4-(trifluoromethyl)phenyl]ethyl]piperidin-4-amine.

Molecular Properties

Compound Name3,3-difluoro-N-methyl-1-[2-[4-(trifluoromethyl)phenyl]ethyl]piperidin-4-amine
PubChem CID122445265
Molecular FormulaC15H19F5N2
Molecular Weight322.32 g/mol
Exact Mass322.15
IUPAC Name3,3-difluoro-N-methyl-1-[2-[4-(trifluoromethyl)phenyl]ethyl]piperidin-4-amine
SMILESCNC1CCN(CCc2ccc(C(F)(F)F)cc2)CC1(F)F
InChIInChI=1S/C15H19F5N2/c1-21-13-7-9-22(10-14(13,16)17)8-6-11-2-4-12(5-3-11)15(18,19)20/h2-5,13,21H,6-10H2,1H3
InChIKeyIDPDXTHARRQCGI-UHFFFAOYSA-N
XLogP3.18
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.32
LogP ≤ 53.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[1-[2-[4-(trifluoromethyl)phenyl]ethyl]pyrrolidin-3-yl]adamantane-1-carboxamide
CID 22888129
N-[3,3-difluoro-1-[2-(4-methylphenyl)ethyl]piperidin-4-yl]-7H-pyrrolo[2,3-d]pyrimidin-4-amine
CID 134215403
N-[3,3-difluoro-1-[2-[4-(fluoromethyl)phenyl]ethyl]piperidin-4-yl]-1H-pyrazolo[5,4-d]pyrimidin-4-amine
CID 122445184
3-ethyl-N-methyl-1-[[4-(trifluoromethyl)phenyl]methyl]piperidin-4-amine
CID 114507825
1-[2-(4-ethoxyphenyl)ethyl]-N-methylpiperidin-4-amine
CID 147131335
1-(4-fluorophenyl)-2-[1-[2-[4-(trifluoromethyl)phenyl]ethyl]piperidin-4-yl]ethanone
CID 10023485
1-(2-cyclopropylethyl)-4-(trifluoromethyl)benzene
CID 160836362
N-methyl-1-[2-(4-nitrophenyl)ethyl]piperidin-4-amine
CID 119923248
(3S)-1-[2-(4-tert-butylphenyl)ethyl]pyrrolidin-3-amine
CID 94769640
N-[4-[2-(4-methylpiperazin-1-yl)ethyl]phenyl]-3-[4-(trifluoromethyl)phenyl]propanamide
CID 86897509
N-[(3S,4S)-3-fluoro-1-[2-[4-(trifluoromethyl)phenyl]ethyl]piperidin-4-yl]-1H-pyrazolo[5,4-d]pyrimidin-4-amine
CID 11959650
2-methyl-1-[4-(methylamino)piperidin-1-yl]-3-[4-(trifluoromethyl)phenyl]propan-1-one
CID 119560684

Frequently Asked Questions

What is the IUPAC name of 3,3-difluoro-N-methyl-1-[2-[4-(trifluoromethyl)phenyl]ethyl]piperidin-4-amine?
The IUPAC name of 3,3-difluoro-N-methyl-1-[2-[4-(trifluoromethyl)phenyl]ethyl]piperidin-4-amine (CID 122445265) is 3,3-difluoro-N-methyl-1-[2-[4-(trifluoromethyl)phenyl]ethyl]piperidin-4-amine.
What is the SMILES notation for 3,3-difluoro-N-methyl-1-[2-[4-(trifluoromethyl)phenyl]ethyl]piperidin-4-amine?
The canonical SMILES for 3,3-difluoro-N-methyl-1-[2-[4-(trifluoromethyl)phenyl]ethyl]piperidin-4-amine is CNC1CCN(CCc2ccc(C(F)(F)F)cc2)CC1(F)F.
What is the InChIKey of 3,3-difluoro-N-methyl-1-[2-[4-(trifluoromethyl)phenyl]ethyl]piperidin-4-amine?
The InChIKey is IDPDXTHARRQCGI-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19F5N2/c1-21-13-7-9-22(10-14(13,16)17)8-6-11-2-4-12(5-3-11)15(18,19)20/h2-5,13,21H,6-10H2,1H3.
What are the key properties of 3,3-difluoro-N-methyl-1-[2-[4-(trifluoromethyl)phenyl]ethyl]piperidin-4-amine?
3,3-difluoro-N-methyl-1-[2-[4-(trifluoromethyl)phenyl]ethyl]piperidin-4-amine has a molecular weight of 322.32 g/mol, XLogP of 3.18, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3,3-difluoro-N-methyl-1-[2-[4-(trifluoromethyl)phenyl]ethyl]piperidin-4-amine is sourced from PubChem (CID 122445265), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).