N-methyl-1-[1-[[2-(trifluoromethyl)phenyl]methyl]piperidin-2-yl]methanamine

C15H21F3N2 — CID 63249109

IUPACN-methyl-1-[1-[[2-(trifluoromethyl)phenyl]methyl]piperidin-2-yl]methanamine
SMILESCNCC1CCCCN1Cc1ccccc1C(F)(F)F
InChIInChI=1S/C15H21F3N2/c1-19-10-13-7-4-5-9-20(13)11-12-6-2-3-8-14(12)15(16,17)18/h2-3,6,8,13,19H,4-5,7,9-11H2,1H3
InChIKeyFTSBUMLDWQCHAQ-UHFFFAOYSA-N
MW286.34 g/mol
LogP3.28
Rot. Bonds4

About N-methyl-1-[1-[[2-(trifluoromethyl)phenyl]methyl]piperidin-2-yl]methanamine

N-methyl-1-[1-[[2-(trifluoromethyl)phenyl]methyl]piperidin-2-yl]methanamine (PubChem CID 63249109) has the molecular formula C15H21F3N2 and a molecular weight of 286.34 g/mol. Its IUPAC name is N-methyl-1-[1-[[2-(trifluoromethyl)phenyl]methyl]piperidin-2-yl]methanamine.

Molecular Properties

Compound NameN-methyl-1-[1-[[2-(trifluoromethyl)phenyl]methyl]piperidin-2-yl]methanamine
PubChem CID63249109
Molecular FormulaC15H21F3N2
Molecular Weight286.34 g/mol
Exact Mass286.17
IUPAC NameN-methyl-1-[1-[[2-(trifluoromethyl)phenyl]methyl]piperidin-2-yl]methanamine
SMILESCNCC1CCCCN1Cc1ccccc1C(F)(F)F
InChIInChI=1S/C15H21F3N2/c1-19-10-13-7-4-5-9-20(13)11-12-6-2-3-8-14(12)15(16,17)18/h2-3,6,8,13,19H,4-5,7,9-11H2,1H3
InChIKeyFTSBUMLDWQCHAQ-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-[[2-(trifluoromethyl)phenyl]methyl]piperidin-2-yl]methanol
CID 3116751
1-[1-[(2-chlorophenyl)methyl]pyrrolidin-2-yl]-N-methylmethanamine;hydrochloride
CID 119928352
1-[1-[(2-ethylphenyl)methyl]pyrrolidin-2-yl]-N-methylmethanamine
CID 113285206
1-[1-(2,2-difluoro-2-phenylethyl)piperidin-2-yl]-N-methylmethanamine
CID 116789649
N-methyl-1-[1-[[2-(trifluoromethyl)phenyl]methyl]piperidin-4-yl]methanamine
CID 63250554
2-[2-[[2-(methylaminomethyl)pyrrolidin-1-yl]methyl]phenyl]acetic acid
CID 115463132
1-[1-[(2,3-dimethylphenyl)methyl]pyrrolidin-2-yl]-N-methylmethanamine
CID 113285201
1-[1-[(4-fluoro-2-methylphenyl)methyl]piperidin-2-yl]-N-methylmethanamine
CID 63249454
(2S)-1-[[2-(trifluoromethyl)phenyl]methyl]piperidine-2-carboxamide
CID 95146043
1-[1-[[2-(difluoromethoxy)phenyl]methyl]pyrrolidin-2-yl]-N-methylmethanamine;hydrochloride
CID 119928550
1-[1-[(5-fluoroquinolin-8-yl)methyl]piperidin-2-yl]-N-methylmethanamine
CID 63250206
1-[1-[(2,5-dichlorophenyl)methyl]piperidin-2-yl]-N-methylmethanamine
CID 65318364

Frequently Asked Questions

What is the IUPAC name of N-methyl-1-[1-[[2-(trifluoromethyl)phenyl]methyl]piperidin-2-yl]methanamine?
The IUPAC name of N-methyl-1-[1-[[2-(trifluoromethyl)phenyl]methyl]piperidin-2-yl]methanamine (CID 63249109) is N-methyl-1-[1-[[2-(trifluoromethyl)phenyl]methyl]piperidin-2-yl]methanamine.
What is the SMILES notation for N-methyl-1-[1-[[2-(trifluoromethyl)phenyl]methyl]piperidin-2-yl]methanamine?
The canonical SMILES for N-methyl-1-[1-[[2-(trifluoromethyl)phenyl]methyl]piperidin-2-yl]methanamine is CNCC1CCCCN1Cc1ccccc1C(F)(F)F.
What is the InChIKey of N-methyl-1-[1-[[2-(trifluoromethyl)phenyl]methyl]piperidin-2-yl]methanamine?
The InChIKey is FTSBUMLDWQCHAQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21F3N2/c1-19-10-13-7-4-5-9-20(13)11-12-6-2-3-8-14(12)15(16,17)18/h2-3,6,8,13,19H,4-5,7,9-11H2,1H3.
What are the key properties of N-methyl-1-[1-[[2-(trifluoromethyl)phenyl]methyl]piperidin-2-yl]methanamine?
N-methyl-1-[1-[[2-(trifluoromethyl)phenyl]methyl]piperidin-2-yl]methanamine 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 N-methyl-1-[1-[[2-(trifluoromethyl)phenyl]methyl]piperidin-2-yl]methanamine is sourced from PubChem (CID 63249109), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).