N-methyl-1-piperidin-3-yl-N-[[3-(trifluoromethyl)phenyl]methyl]methanamine;hydrochloride

C15H22ClF3N2 — CID 119930674

IUPACN-methyl-1-piperidin-3-yl-N-[[3-(trifluoromethyl)phenyl]methyl]methanamine;hydrochloride
SMILESCN(Cc1cccc(C(F)(F)F)c1)CC1CCCNC1.Cl
InChIInChI=1S/C15H21F3N2.ClH/c1-20(11-13-5-3-7-19-9-13)10-12-4-2-6-14(8-12)15(16,17)18;/h2,4,6,8,13,19H,3,5,7,9-11H2,1H3;1H
InChIKeyXNIRAFKRCYSFLG-UHFFFAOYSA-N
MW322.80 g/mol
LogP3.56
Rot. Bonds4

About N-methyl-1-piperidin-3-yl-N-[[3-(trifluoromethyl)phenyl]methyl]methanamine;hydrochloride

N-methyl-1-piperidin-3-yl-N-[[3-(trifluoromethyl)phenyl]methyl]methanamine;hydrochloride (PubChem CID 119930674) has the molecular formula C15H22ClF3N2 and a molecular weight of 322.80 g/mol. Its IUPAC name is N-methyl-1-piperidin-3-yl-N-[[3-(trifluoromethyl)phenyl]methyl]methanamine;hydrochloride.

Molecular Properties

Compound NameN-methyl-1-piperidin-3-yl-N-[[3-(trifluoromethyl)phenyl]methyl]methanamine;hydrochloride
PubChem CID119930674
Molecular FormulaC15H22ClF3N2
Molecular Weight322.80 g/mol
Exact Mass322.14
IUPAC NameN-methyl-1-piperidin-3-yl-N-[[3-(trifluoromethyl)phenyl]methyl]methanamine;hydrochloride
SMILESCN(Cc1cccc(C(F)(F)F)c1)CC1CCCNC1.Cl
InChIInChI=1S/C15H21F3N2.ClH/c1-20(11-13-5-3-7-19-9-13)10-12-4-2-6-14(8-12)15(16,17)18;/h2,4,6,8,13,19H,3,5,7,9-11H2,1H3;1H
InChIKeyXNIRAFKRCYSFLG-UHFFFAOYSA-N
XLogP3.56
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.80
LogP ≤ 53.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[(3-fluorophenyl)methyl]-N-methyl-1-piperidin-3-ylmethanamine;hydrochloride
CID 119929453
N-methyl-1-piperidin-3-yl-N-[[3-(trifluoromethoxy)phenyl]methyl]methanamine
CID 103815912
N-methyl-N-[[3-(trifluoromethyl)phenyl]methyl]piperidin-3-amine
CID 63642278
N-[(4-chloro-3-fluorophenyl)methyl]-N-methyl-1-piperidin-3-ylmethanamine
CID 104870292
2-fluoro-4-[[methyl(piperidin-3-ylmethyl)amino]methyl]phenol
CID 107692165
N-[(3-chloro-4-fluorophenyl)methyl]-N-methyl-1-piperidin-3-ylmethanamine
CID 106623709
N-[(3,5-dimethylphenyl)methyl]-N-methyl-1-piperidin-3-ylmethanamine
CID 106623795
3-[[3-(1,1-difluoroethyl)phenyl]methyl]piperidine
CID 84701353
N-[(3-fluoro-4-methoxyphenyl)methyl]-N-methyl-1-piperidin-3-ylmethanamine
CID 103815646
N-methyl-4-[(3S)-piperidin-3-yl]-N-[[3-(trifluoromethyl)phenyl]methyl]benzamide
CID 97202795
N-[(2-bromo-4-pyridinyl)methyl]-N-methyl-1-[(3S)-piperidin-3-yl]methanamine
CID 97164520
N-[(2-bromo-4-pyridinyl)methyl]-N-methyl-1-piperidin-3-ylmethanamine
CID 71642200

Frequently Asked Questions

What is the IUPAC name of N-methyl-1-piperidin-3-yl-N-[[3-(trifluoromethyl)phenyl]methyl]methanamine;hydrochloride?
The IUPAC name of N-methyl-1-piperidin-3-yl-N-[[3-(trifluoromethyl)phenyl]methyl]methanamine;hydrochloride (CID 119930674) is N-methyl-1-piperidin-3-yl-N-[[3-(trifluoromethyl)phenyl]methyl]methanamine;hydrochloride.
What is the SMILES notation for N-methyl-1-piperidin-3-yl-N-[[3-(trifluoromethyl)phenyl]methyl]methanamine;hydrochloride?
The canonical SMILES for N-methyl-1-piperidin-3-yl-N-[[3-(trifluoromethyl)phenyl]methyl]methanamine;hydrochloride is CN(Cc1cccc(C(F)(F)F)c1)CC1CCCNC1.Cl.
What is the InChIKey of N-methyl-1-piperidin-3-yl-N-[[3-(trifluoromethyl)phenyl]methyl]methanamine;hydrochloride?
The InChIKey is XNIRAFKRCYSFLG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21F3N2.ClH/c1-20(11-13-5-3-7-19-9-13)10-12-4-2-6-14(8-12)15(16,17)18;/h2,4,6,8,13,19H,3,5,7,9-11H2,1H3;1H.
What are the key properties of N-methyl-1-piperidin-3-yl-N-[[3-(trifluoromethyl)phenyl]methyl]methanamine;hydrochloride?
N-methyl-1-piperidin-3-yl-N-[[3-(trifluoromethyl)phenyl]methyl]methanamine;hydrochloride has a molecular weight of 322.80 g/mol, XLogP of 3.56, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-1-piperidin-3-yl-N-[[3-(trifluoromethyl)phenyl]methyl]methanamine;hydrochloride is sourced from PubChem (CID 119930674), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).