N-(piperidin-4-ylmethyl)-N-[[2-(trifluoromethyl)phenyl]methyl]cyclopropanamine

C17H23F3N2 — CID 119930125

IUPACN-(piperidin-4-ylmethyl)-N-[[2-(trifluoromethyl)phenyl]methyl]cyclopropanamine
SMILESFC(F)(F)c1ccccc1CN(CC1CCNCC1)C1CC1
InChIInChI=1S/C17H23F3N2/c18-17(19,20)16-4-2-1-3-14(16)12-22(15-5-6-15)11-13-7-9-21-10-8-13/h1-4,13,15,21H,5-12H2
InChIKeyMVOQVIGBQJERMY-UHFFFAOYSA-N
MW312.38 g/mol
LogP3.67
Rot. Bonds5

About N-(piperidin-4-ylmethyl)-N-[[2-(trifluoromethyl)phenyl]methyl]cyclopropanamine

N-(piperidin-4-ylmethyl)-N-[[2-(trifluoromethyl)phenyl]methyl]cyclopropanamine (PubChem CID 119930125) has the molecular formula C17H23F3N2 and a molecular weight of 312.38 g/mol. Its IUPAC name is N-(piperidin-4-ylmethyl)-N-[[2-(trifluoromethyl)phenyl]methyl]cyclopropanamine.

Molecular Properties

Compound NameN-(piperidin-4-ylmethyl)-N-[[2-(trifluoromethyl)phenyl]methyl]cyclopropanamine
PubChem CID119930125
Molecular FormulaC17H23F3N2
Molecular Weight312.38 g/mol
Exact Mass312.18
IUPAC NameN-(piperidin-4-ylmethyl)-N-[[2-(trifluoromethyl)phenyl]methyl]cyclopropanamine
SMILESFC(F)(F)c1ccccc1CN(CC1CCNCC1)C1CC1
InChIInChI=1S/C17H23F3N2/c18-17(19,20)16-4-2-1-3-14(16)12-22(15-5-6-15)11-13-7-9-21-10-8-13/h1-4,13,15,21H,5-12H2
InChIKeyMVOQVIGBQJERMY-UHFFFAOYSA-N
XLogP3.67
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.38
LogP ≤ 53.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[(2-nitrophenyl)methyl]-N-(piperidin-4-ylmethyl)cyclopropanamine
CID 79700162
N-(1-benzofuran-3-ylmethyl)-N-(piperidin-4-ylmethyl)cyclopropanamine
CID 80702786
4-[[cyclopropyl(cyclopropylmethyl)amino]methyl]-3-(trifluoromethyl)aniline
CID 81117963
N-(2-methylpropyl)-N-[[2-(trifluoromethyl)phenyl]methyl]pyrrolidin-3-amine
CID 69062877
N-[(5-bromo-2-fluorophenyl)methyl]-N-(piperidin-4-ylmethyl)cyclopropanamine;hydrochloride
CID 119930116
N-(naphthalen-2-ylmethyl)-N-(piperidin-4-ylmethyl)cyclopropanamine
CID 119930115
3-[[2-(trifluoromethyl)phenyl]methoxymethyl]pyrrolidine
CID 115070735
N-(cyclopentylmethyl)-N-[(2-fluorophenyl)methyl]cyclopropanamine
CID 112828716
N-(piperidin-4-ylmethyl)-N-propan-2-yl-2-(trifluoromethyl)aniline
CID 79704419
N-benzyl-N-[[(3R)-pyrrolidin-3-yl]methyl]cyclopropanamine
CID 96555702
N-[(4-bromothiophen-3-yl)methyl]-N-(piperidin-4-ylmethyl)cyclopropanamine
CID 112739771
N-[(2-fluoro-4-methoxyphenyl)methyl]-N-(piperidin-4-ylmethyl)cyclopropanamine
CID 102877828

Frequently Asked Questions

What is the IUPAC name of N-(piperidin-4-ylmethyl)-N-[[2-(trifluoromethyl)phenyl]methyl]cyclopropanamine?
The IUPAC name of N-(piperidin-4-ylmethyl)-N-[[2-(trifluoromethyl)phenyl]methyl]cyclopropanamine (CID 119930125) is N-(piperidin-4-ylmethyl)-N-[[2-(trifluoromethyl)phenyl]methyl]cyclopropanamine.
What is the SMILES notation for N-(piperidin-4-ylmethyl)-N-[[2-(trifluoromethyl)phenyl]methyl]cyclopropanamine?
The canonical SMILES for N-(piperidin-4-ylmethyl)-N-[[2-(trifluoromethyl)phenyl]methyl]cyclopropanamine is FC(F)(F)c1ccccc1CN(CC1CCNCC1)C1CC1.
What is the InChIKey of N-(piperidin-4-ylmethyl)-N-[[2-(trifluoromethyl)phenyl]methyl]cyclopropanamine?
The InChIKey is MVOQVIGBQJERMY-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23F3N2/c18-17(19,20)16-4-2-1-3-14(16)12-22(15-5-6-15)11-13-7-9-21-10-8-13/h1-4,13,15,21H,5-12H2.
What are the key properties of N-(piperidin-4-ylmethyl)-N-[[2-(trifluoromethyl)phenyl]methyl]cyclopropanamine?
N-(piperidin-4-ylmethyl)-N-[[2-(trifluoromethyl)phenyl]methyl]cyclopropanamine has a molecular weight of 312.38 g/mol, XLogP of 3.67, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(piperidin-4-ylmethyl)-N-[[2-(trifluoromethyl)phenyl]methyl]cyclopropanamine is sourced from PubChem (CID 119930125), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).