N-(piperidin-3-ylmethyl)-1-[4-(trifluoromethyl)phenyl]ethanamine

C15H21F3N2 — CID 80554145

IUPACN-(piperidin-3-ylmethyl)-1-[4-(trifluoromethyl)phenyl]ethanamine
SMILESCC(NCC1CCCNC1)c1ccc(C(F)(F)F)cc1
InChIInChI=1S/C15H21F3N2/c1-11(20-10-12-3-2-8-19-9-12)13-4-6-14(7-5-13)15(16,17)18/h4-7,11-12,19-20H,2-3,8-10H2,1H3
InChIKeyFDFPBAFKBZGBEC-UHFFFAOYSA-N
MW286.34 g/mol
LogP3.36
Rot. Bonds4

About N-(piperidin-3-ylmethyl)-1-[4-(trifluoromethyl)phenyl]ethanamine

N-(piperidin-3-ylmethyl)-1-[4-(trifluoromethyl)phenyl]ethanamine (PubChem CID 80554145) has the molecular formula C15H21F3N2 and a molecular weight of 286.34 g/mol. Its IUPAC name is N-(piperidin-3-ylmethyl)-1-[4-(trifluoromethyl)phenyl]ethanamine.

Molecular Properties

Compound NameN-(piperidin-3-ylmethyl)-1-[4-(trifluoromethyl)phenyl]ethanamine
PubChem CID80554145
Molecular FormulaC15H21F3N2
Molecular Weight286.34 g/mol
Exact Mass286.17
IUPAC NameN-(piperidin-3-ylmethyl)-1-[4-(trifluoromethyl)phenyl]ethanamine
SMILESCC(NCC1CCCNC1)c1ccc(C(F)(F)F)cc1
InChIInChI=1S/C15H21F3N2/c1-11(20-10-12-3-2-8-19-9-12)13-4-6-14(7-5-13)15(16,17)18/h4-7,11-12,19-20H,2-3,8-10H2,1H3
InChIKeyFDFPBAFKBZGBEC-UHFFFAOYSA-N
XLogP3.36
TPSA24.06 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.34
LogP ≤ 53.36
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

(1R)-1-(4-methylphenyl)-N-(piperidin-3-ylmethyl)ethanamine
CID 81349439
[4-[1-(piperidin-3-ylmethylamino)ethyl]phenyl]urea
CID 80554120
N-(piperidin-3-ylmethyl)-1-thiophen-2-ylethanamine;hydrochloride
CID 71637837
N-(piperidin-3-ylmethyl)-4-(trifluoromethyl)benzamide
CID 24701631
N-(2-piperidin-3-ylethyl)-3-[4-(trifluoromethyl)phenyl]butanamide
CID 119557662
1-(2,4-difluorophenyl)-N-(piperidin-3-ylmethyl)ethanamine
CID 80553557
1-[4-(benzimidazol-1-yl)phenyl]-N-(piperidin-3-ylmethyl)ethanamine
CID 167962451
3-piperidin-3-yl-N-[1-[4-(trifluoromethyl)phenyl]ethyl]butanamide
CID 119706901
1-(4-tert-butylphenyl)-N-(pyrrolidin-2-ylmethyl)ethanamine
CID 106637049
1-(4-fluorophenyl)-N-(piperidin-3-ylmethyl)propan-2-amine
CID 80555461
N-[(1S)-1-(4-methylphenyl)ethyl]-2-piperidin-3-ylacetamide
CID 81356926
N-(cyclobutylmethyl)-1-(4-propan-2-ylphenyl)ethanamine
CID 43298332

Frequently Asked Questions

What is the IUPAC name of N-(piperidin-3-ylmethyl)-1-[4-(trifluoromethyl)phenyl]ethanamine?
The IUPAC name of N-(piperidin-3-ylmethyl)-1-[4-(trifluoromethyl)phenyl]ethanamine (CID 80554145) is N-(piperidin-3-ylmethyl)-1-[4-(trifluoromethyl)phenyl]ethanamine.
What is the SMILES notation for N-(piperidin-3-ylmethyl)-1-[4-(trifluoromethyl)phenyl]ethanamine?
The canonical SMILES for N-(piperidin-3-ylmethyl)-1-[4-(trifluoromethyl)phenyl]ethanamine is CC(NCC1CCCNC1)c1ccc(C(F)(F)F)cc1.
What is the InChIKey of N-(piperidin-3-ylmethyl)-1-[4-(trifluoromethyl)phenyl]ethanamine?
The InChIKey is FDFPBAFKBZGBEC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21F3N2/c1-11(20-10-12-3-2-8-19-9-12)13-4-6-14(7-5-13)15(16,17)18/h4-7,11-12,19-20H,2-3,8-10H2,1H3.
What are the key properties of N-(piperidin-3-ylmethyl)-1-[4-(trifluoromethyl)phenyl]ethanamine?
N-(piperidin-3-ylmethyl)-1-[4-(trifluoromethyl)phenyl]ethanamine has a molecular weight of 286.34 g/mol, XLogP of 3.36, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(piperidin-3-ylmethyl)-1-[4-(trifluoromethyl)phenyl]ethanamine is sourced from PubChem (CID 80554145), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).