1-[1-[[4-(trifluoromethoxy)phenyl]methyl]piperidin-2-yl]ethanamine

C15H21F3N2O — CID 63254456

IUPAC1-[1-[[4-(trifluoromethoxy)phenyl]methyl]piperidin-2-yl]ethanamine
SMILESCC(N)C1CCCCN1Cc1ccc(OC(F)(F)F)cc1
InChIInChI=1S/C15H21F3N2O/c1-11(19)14-4-2-3-9-20(14)10-12-5-7-13(8-6-12)21-15(16,17)18/h5-8,11,14H,2-4,9-10,19H2,1H3
InChIKeyMZXJMUARFXWURX-UHFFFAOYSA-N
MW302.34 g/mol
LogP3.29
Rot. Bonds4

About 1-[1-[[4-(trifluoromethoxy)phenyl]methyl]piperidin-2-yl]ethanamine

1-[1-[[4-(trifluoromethoxy)phenyl]methyl]piperidin-2-yl]ethanamine (PubChem CID 63254456) has the molecular formula C15H21F3N2O and a molecular weight of 302.34 g/mol. Its IUPAC name is 1-[1-[[4-(trifluoromethoxy)phenyl]methyl]piperidin-2-yl]ethanamine.

Molecular Properties

Compound Name1-[1-[[4-(trifluoromethoxy)phenyl]methyl]piperidin-2-yl]ethanamine
PubChem CID63254456
Molecular FormulaC15H21F3N2O
Molecular Weight302.34 g/mol
Exact Mass302.16
IUPAC Name1-[1-[[4-(trifluoromethoxy)phenyl]methyl]piperidin-2-yl]ethanamine
SMILESCC(N)C1CCCCN1Cc1ccc(OC(F)(F)F)cc1
InChIInChI=1S/C15H21F3N2O/c1-11(19)14-4-2-3-9-20(14)10-12-5-7-13(8-6-12)21-15(16,17)18/h5-8,11,14H,2-4,9-10,19H2,1H3
InChIKeyMZXJMUARFXWURX-UHFFFAOYSA-N
XLogP3.29
TPSA38.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.34
LogP ≤ 53.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-[[2-(1-aminoethyl)piperidin-1-yl]methyl]phenol
CID 63254190
[1-[[4-(trifluoromethoxy)phenyl]methyl]pyrrolidin-2-yl]methanamine;hydrochloride
CID 119927174
2-tert-butyl-1-[[4-(trifluoromethoxy)phenyl]methyl]pyrrolidine
CID 67953462
1-[1-[(3-chloro-4-methoxyphenyl)methyl]piperidin-2-yl]ethanamine
CID 65027028
[2-(1-aminoethyl)piperidin-1-yl]-[4-(trifluoromethoxy)phenyl]methanone;hydrochloride
CID 119436639
1-[1-[(3-fluorophenyl)methyl]piperidin-2-yl]ethanamine
CID 63254271
1-[1-[(2-chlorothiophen-3-yl)methyl]piperidin-2-yl]ethanamine
CID 120897041
1-[1-[(2,6-dichlorophenyl)methyl]piperidin-2-yl]ethanamine
CID 55168005
1-[1-[3-(4-chlorophenoxy)propyl]piperidin-2-yl]ethanamine
CID 63255626
1-[1-[2-(4-chlorophenoxy)ethyl]piperidin-2-yl]ethanamine;hydrochloride
CID 119911014
2-[1-[[4-(trifluoromethoxy)phenyl]methyl]pyrrolidin-2-yl]acetic acid
CID 61372500
3-[[2-(1-aminoethyl)piperidin-1-yl]methyl]benzonitrile
CID 63254536

Frequently Asked Questions

What is the IUPAC name of 1-[1-[[4-(trifluoromethoxy)phenyl]methyl]piperidin-2-yl]ethanamine?
The IUPAC name of 1-[1-[[4-(trifluoromethoxy)phenyl]methyl]piperidin-2-yl]ethanamine (CID 63254456) is 1-[1-[[4-(trifluoromethoxy)phenyl]methyl]piperidin-2-yl]ethanamine.
What is the SMILES notation for 1-[1-[[4-(trifluoromethoxy)phenyl]methyl]piperidin-2-yl]ethanamine?
The canonical SMILES for 1-[1-[[4-(trifluoromethoxy)phenyl]methyl]piperidin-2-yl]ethanamine is CC(N)C1CCCCN1Cc1ccc(OC(F)(F)F)cc1.
What is the InChIKey of 1-[1-[[4-(trifluoromethoxy)phenyl]methyl]piperidin-2-yl]ethanamine?
The InChIKey is MZXJMUARFXWURX-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21F3N2O/c1-11(19)14-4-2-3-9-20(14)10-12-5-7-13(8-6-12)21-15(16,17)18/h5-8,11,14H,2-4,9-10,19H2,1H3.
What are the key properties of 1-[1-[[4-(trifluoromethoxy)phenyl]methyl]piperidin-2-yl]ethanamine?
1-[1-[[4-(trifluoromethoxy)phenyl]methyl]piperidin-2-yl]ethanamine has a molecular weight of 302.34 g/mol, XLogP of 3.29, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-[[4-(trifluoromethoxy)phenyl]methyl]piperidin-2-yl]ethanamine is sourced from PubChem (CID 63254456), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).