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

C15H21F3N2 — CID 61171918

IUPAC1-ethyl-N-[[2-(trifluoromethyl)phenyl]methyl]piperidin-3-amine
SMILESCCN1CCCC(NCc2ccccc2C(F)(F)F)C1
InChIInChI=1S/C15H21F3N2/c1-2-20-9-5-7-13(11-20)19-10-12-6-3-4-8-14(12)15(16,17)18/h3-4,6,8,13,19H,2,5,7,9-11H2,1H3
InChIKeyFNGMPKHVDDWTAK-UHFFFAOYSA-N
MW286.34 g/mol
LogP3.28
Rot. Bonds4

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

1-ethyl-N-[[2-(trifluoromethyl)phenyl]methyl]piperidin-3-amine (PubChem CID 61171918) has the molecular formula C15H21F3N2 and a molecular weight of 286.34 g/mol. Its IUPAC name is 1-ethyl-N-[[2-(trifluoromethyl)phenyl]methyl]piperidin-3-amine.

Molecular Properties

Compound Name1-ethyl-N-[[2-(trifluoromethyl)phenyl]methyl]piperidin-3-amine
PubChem CID61171918
Molecular FormulaC15H21F3N2
Molecular Weight286.34 g/mol
Exact Mass286.17
IUPAC Name1-ethyl-N-[[2-(trifluoromethyl)phenyl]methyl]piperidin-3-amine
SMILESCCN1CCCC(NCc2ccccc2C(F)(F)F)C1
InChIInChI=1S/C15H21F3N2/c1-2-20-9-5-7-13(11-20)19-10-12-6-3-4-8-14(12)15(16,17)18/h3-4,6,8,13,19H,2,5,7,9-11H2,1H3
InChIKeyFNGMPKHVDDWTAK-UHFFFAOYSA-N
XLogP3.28
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.34
LogP ≤ 53.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-benzyl-N-[[2-(trifluoromethyl)phenyl]methyl]pyrrolidin-3-amine
CID 55378502
N-[(2,3-difluorophenyl)methyl]-1-ethylpiperidin-3-amine
CID 63667561
2-[[(1-ethylpiperidin-3-yl)amino]methyl]-6-fluorophenol
CID 112606644
N-[2-[[(1-ethylpiperidin-3-yl)amino]methyl]phenyl]acetamide
CID 66419821
(3S)-N-[(2-methoxyphenyl)methyl]-1-[[2-(trifluoromethyl)phenyl]methyl]pyrrolidin-3-amine
CID 91547218
2-[[(1-ethylpiperidin-3-yl)amino]methyl]-6-methoxyphenol
CID 61170750
N-ethyl-1-[[2-(trifluoromethyl)phenyl]methyl]piperidin-4-amine
CID 62880119
N-[[2-(trifluoromethyl)phenyl]methyl]thian-4-amine
CID 62048945
3-chloro-2-[[(1-ethylpiperidin-3-yl)amino]methyl]phenol
CID 78959324
N-[(3-tert-butyl-1-methylpyrazol-4-yl)methyl]-1-ethylpiperidin-3-amine
CID 83082207
1-[[2-(trifluoromethyl)phenyl]methyl]piperidin-3-amine;hydrochloride
CID 119909959
N-[(3-cyclopropylphenyl)methyl]-1-ethylpiperidin-3-amine
CID 79978789

Frequently Asked Questions

What is the IUPAC name of 1-ethyl-N-[[2-(trifluoromethyl)phenyl]methyl]piperidin-3-amine?
The IUPAC name of 1-ethyl-N-[[2-(trifluoromethyl)phenyl]methyl]piperidin-3-amine (CID 61171918) is 1-ethyl-N-[[2-(trifluoromethyl)phenyl]methyl]piperidin-3-amine.
What is the SMILES notation for 1-ethyl-N-[[2-(trifluoromethyl)phenyl]methyl]piperidin-3-amine?
The canonical SMILES for 1-ethyl-N-[[2-(trifluoromethyl)phenyl]methyl]piperidin-3-amine is CCN1CCCC(NCc2ccccc2C(F)(F)F)C1.
What is the InChIKey of 1-ethyl-N-[[2-(trifluoromethyl)phenyl]methyl]piperidin-3-amine?
The InChIKey is FNGMPKHVDDWTAK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21F3N2/c1-2-20-9-5-7-13(11-20)19-10-12-6-3-4-8-14(12)15(16,17)18/h3-4,6,8,13,19H,2,5,7,9-11H2,1H3.
What are the key properties of 1-ethyl-N-[[2-(trifluoromethyl)phenyl]methyl]piperidin-3-amine?
1-ethyl-N-[[2-(trifluoromethyl)phenyl]methyl]piperidin-3-amine has a molecular weight of 286.34 g/mol, XLogP of 3.28, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethyl-N-[[2-(trifluoromethyl)phenyl]methyl]piperidin-3-amine is sourced from PubChem (CID 61171918), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).