2-[1-[4-(aminomethyl)-3-(trifluoromethyl)phenyl]piperidin-3-yl]ethanol

C15H21F3N2O — CID 107227083

IUPAC2-[1-[4-(aminomethyl)-3-(trifluoromethyl)phenyl]piperidin-3-yl]ethanol
SMILESNCc1ccc(N2CCCC(CCO)C2)cc1C(F)(F)F
InChIInChI=1S/C15H21F3N2O/c16-15(17,18)14-8-13(4-3-12(14)9-19)20-6-1-2-11(10-20)5-7-21/h3-4,8,11,21H,1-2,5-7,9-10,19H2
InChIKeyLJHNKMDMYBGIIA-UHFFFAOYSA-N
MW302.34 g/mol
LogP2.76
Rot. Bonds4

About 2-[1-[4-(aminomethyl)-3-(trifluoromethyl)phenyl]piperidin-3-yl]ethanol

2-[1-[4-(aminomethyl)-3-(trifluoromethyl)phenyl]piperidin-3-yl]ethanol (PubChem CID 107227083) has the molecular formula C15H21F3N2O and a molecular weight of 302.34 g/mol. Its IUPAC name is 2-[1-[4-(aminomethyl)-3-(trifluoromethyl)phenyl]piperidin-3-yl]ethanol.

Molecular Properties

Compound Name2-[1-[4-(aminomethyl)-3-(trifluoromethyl)phenyl]piperidin-3-yl]ethanol
PubChem CID107227083
Molecular FormulaC15H21F3N2O
Molecular Weight302.34 g/mol
Exact Mass302.16
IUPAC Name2-[1-[4-(aminomethyl)-3-(trifluoromethyl)phenyl]piperidin-3-yl]ethanol
SMILESNCc1ccc(N2CCCC(CCO)C2)cc1C(F)(F)F
InChIInChI=1S/C15H21F3N2O/c16-15(17,18)14-8-13(4-3-12(14)9-19)20-6-1-2-11(10-20)5-7-21/h3-4,8,11,21H,1-2,5-7,9-10,19H2
InChIKeyLJHNKMDMYBGIIA-UHFFFAOYSA-N
XLogP2.76
TPSA49.49 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.34
LogP ≤ 52.76
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-[1-[4-amino-3-(trifluoromethyl)phenyl]piperidin-3-yl]ethanol
CID 107226950
2-[1-[2-(aminomethyl)-4-(trifluoromethyl)phenyl]piperidin-3-yl]ethanol
CID 107227070
[4-[3-(methoxymethyl)pyrrolidin-1-yl]-2-(trifluoromethyl)phenyl]methanamine
CID 64570614
2-[1-[4-(aminomethyl)phenyl]piperidin-3-yl]ethanol
CID 107227081
2-[1-[3-(aminomethyl)-6-(trifluoromethyl)-2-pyridinyl]piperidin-3-yl]ethanol
CID 107227096
4-[3-(2-hydroxyethyl)pyrrolidin-1-yl]-2-(trifluoromethyl)benzenecarbothioamide
CID 114797684
(3R)-1-[4-(hydroxymethyl)-3-(trifluoromethyl)phenyl]piperidine-3-carboxamide
CID 151249599
[4-(2-methyl-1,4-oxazepan-4-yl)-2-(trifluoromethyl)phenyl]methanamine
CID 62988072
2-[1-(4-fluorophenyl)piperidin-3-yl]ethanol
CID 117025995
2-[1-[6-(aminomethyl)-3-pyridinyl]piperidin-3-yl]ethanol
CID 107227098
[4-(4-methylpiperazin-1-yl)-2-(trifluoromethyl)phenyl]methanamine
CID 43320822
2-[1-[4-methyl-3-(trifluoromethyl)phenyl]piperidin-4-yl]ethanol
CID 71166795

Frequently Asked Questions

What is the IUPAC name of 2-[1-[4-(aminomethyl)-3-(trifluoromethyl)phenyl]piperidin-3-yl]ethanol?
The IUPAC name of 2-[1-[4-(aminomethyl)-3-(trifluoromethyl)phenyl]piperidin-3-yl]ethanol (CID 107227083) is 2-[1-[4-(aminomethyl)-3-(trifluoromethyl)phenyl]piperidin-3-yl]ethanol.
What is the SMILES notation for 2-[1-[4-(aminomethyl)-3-(trifluoromethyl)phenyl]piperidin-3-yl]ethanol?
The canonical SMILES for 2-[1-[4-(aminomethyl)-3-(trifluoromethyl)phenyl]piperidin-3-yl]ethanol is NCc1ccc(N2CCCC(CCO)C2)cc1C(F)(F)F.
What is the InChIKey of 2-[1-[4-(aminomethyl)-3-(trifluoromethyl)phenyl]piperidin-3-yl]ethanol?
The InChIKey is LJHNKMDMYBGIIA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21F3N2O/c16-15(17,18)14-8-13(4-3-12(14)9-19)20-6-1-2-11(10-20)5-7-21/h3-4,8,11,21H,1-2,5-7,9-10,19H2.
What are the key properties of 2-[1-[4-(aminomethyl)-3-(trifluoromethyl)phenyl]piperidin-3-yl]ethanol?
2-[1-[4-(aminomethyl)-3-(trifluoromethyl)phenyl]piperidin-3-yl]ethanol has a molecular weight of 302.34 g/mol, XLogP of 2.76, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-[4-(aminomethyl)-3-(trifluoromethyl)phenyl]piperidin-3-yl]ethanol is sourced from PubChem (CID 107227083), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).