2-methyl-1-[piperidin-4-yl-[[3-(trifluoromethyl)phenyl]methyl]amino]propan-2-ol

C17H25F3N2O — CID 135384501

IUPAC2-methyl-1-[piperidin-4-yl-[[3-(trifluoromethyl)phenyl]methyl]amino]propan-2-ol
SMILESCC(C)(O)CN(Cc1cccc(C(F)(F)F)c1)C1CCNCC1
InChIInChI=1S/C17H25F3N2O/c1-16(2,23)12-22(15-6-8-21-9-7-15)11-13-4-3-5-14(10-13)17(18,19)20/h3-5,10,15,21,23H,6-9,11-12H2,1-2H3
InChIKeyYJTQFAJFYTYXLJ-UHFFFAOYSA-N
MW330.39 g/mol
LogP3.03
Rot. Bonds5

About 2-methyl-1-[piperidin-4-yl-[[3-(trifluoromethyl)phenyl]methyl]amino]propan-2-ol

2-methyl-1-[piperidin-4-yl-[[3-(trifluoromethyl)phenyl]methyl]amino]propan-2-ol (PubChem CID 135384501) has the molecular formula C17H25F3N2O and a molecular weight of 330.39 g/mol. Its IUPAC name is 2-methyl-1-[piperidin-4-yl-[[3-(trifluoromethyl)phenyl]methyl]amino]propan-2-ol.

Molecular Properties

Compound Name2-methyl-1-[piperidin-4-yl-[[3-(trifluoromethyl)phenyl]methyl]amino]propan-2-ol
PubChem CID135384501
Molecular FormulaC17H25F3N2O
Molecular Weight330.39 g/mol
Exact Mass330.19
IUPAC Name2-methyl-1-[piperidin-4-yl-[[3-(trifluoromethyl)phenyl]methyl]amino]propan-2-ol
SMILESCC(C)(O)CN(Cc1cccc(C(F)(F)F)c1)C1CCNCC1
InChIInChI=1S/C17H25F3N2O/c1-16(2,23)12-22(15-6-8-21-9-7-15)11-13-4-3-5-14(10-13)17(18,19)20/h3-5,10,15,21,23H,6-9,11-12H2,1-2H3
InChIKeyYJTQFAJFYTYXLJ-UHFFFAOYSA-N
XLogP3.03
TPSA35.50 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.39
LogP ≤ 53.03
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 2-methyl-1-[piperidin-4-yl-[[3-(trifluoromethyl)phenyl]methyl]amino]propan-2-ol with MolForge

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Related Compounds

tert-butyl 4-[(2-hydroxy-2-methylpropyl)-[[3-(trifluoromethyl)phenyl]methyl]amino]piperidine-1-carboxylate
CID 135385121
N-methyl-N-[[3-(trifluoromethyl)phenyl]methyl]hydroxylamine
CID 105456998
N-(2-bromoethyl)-N-[[3-(trifluoromethyl)phenyl]methyl]cyclopropanamine
CID 80666990
N-methyl-N-[[3-(trifluoromethyl)phenyl]methyl]piperidin-3-amine
CID 63642278
1-[ethyl(piperidin-4-yl)amino]-2-methylpropan-2-ol
CID 60883814
N-pyrrolidin-3-yl-N-[[3-(trifluoromethyl)phenyl]methyl]benzamide
CID 11210227
N-methyl-N-pyrrolidin-3-yl-2-[3-(trifluoromethyl)phenyl]acetamide;hydrochloride
CID 119553639
N'-cyclobutyl-N'-[[3-(trifluoromethyl)phenyl]methyl]propane-1,3-diamine
CID 102875051
3-[cyclohexyl-[[3-(trifluoromethyl)phenyl]methyl]amino]-1,1,1-trifluoropropan-2-ol
CID 10177110
N,5-dimethyl-1-piperidin-4-yl-N-[[3-(trifluoromethyl)phenyl]methyl]triazole-4-carboxamide
CID 119737494
4-[(2-hydroxy-2-methylpropyl)-[[3-(trifluoromethyl)phenyl]methyl]amino]piperidine-1-carbonyl chloride;1-[4-[(2-hydroxy-2-methylpropyl)-[[3-(trifluoromethyl)phenyl]methyl]amino]piperidine-1-carbonyl]pyrazole-3-carboxamide;1H-pyrazole-5-carboxamide
CID 158172237
N-piperidin-4-yl-N-propyl-1-[3-(trifluoromethyl)phenyl]methanesulfonamide;hydrochloride
CID 119994035

Frequently Asked Questions

What is the IUPAC name of 2-methyl-1-[piperidin-4-yl-[[3-(trifluoromethyl)phenyl]methyl]amino]propan-2-ol?
The IUPAC name of 2-methyl-1-[piperidin-4-yl-[[3-(trifluoromethyl)phenyl]methyl]amino]propan-2-ol (CID 135384501) is 2-methyl-1-[piperidin-4-yl-[[3-(trifluoromethyl)phenyl]methyl]amino]propan-2-ol.
What is the SMILES notation for 2-methyl-1-[piperidin-4-yl-[[3-(trifluoromethyl)phenyl]methyl]amino]propan-2-ol?
The canonical SMILES for 2-methyl-1-[piperidin-4-yl-[[3-(trifluoromethyl)phenyl]methyl]amino]propan-2-ol is CC(C)(O)CN(Cc1cccc(C(F)(F)F)c1)C1CCNCC1.
What is the InChIKey of 2-methyl-1-[piperidin-4-yl-[[3-(trifluoromethyl)phenyl]methyl]amino]propan-2-ol?
The InChIKey is YJTQFAJFYTYXLJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25F3N2O/c1-16(2,23)12-22(15-6-8-21-9-7-15)11-13-4-3-5-14(10-13)17(18,19)20/h3-5,10,15,21,23H,6-9,11-12H2,1-2H3.
What are the key properties of 2-methyl-1-[piperidin-4-yl-[[3-(trifluoromethyl)phenyl]methyl]amino]propan-2-ol?
2-methyl-1-[piperidin-4-yl-[[3-(trifluoromethyl)phenyl]methyl]amino]propan-2-ol has a molecular weight of 330.39 g/mol, XLogP of 3.03, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-1-[piperidin-4-yl-[[3-(trifluoromethyl)phenyl]methyl]amino]propan-2-ol is sourced from PubChem (CID 135384501), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).