N-(piperidin-4-ylmethyl)-N-(6,6,6-trifluorohexan-2-yl)cyclopropanamine

C15H27F3N2 — CID 116535691

IUPACN-(piperidin-4-ylmethyl)-N-(6,6,6-trifluorohexan-2-yl)cyclopropanamine
SMILESCC(CCCC(F)(F)F)N(CC1CCNCC1)C1CC1
InChIInChI=1S/C15H27F3N2/c1-12(3-2-8-15(16,17)18)20(14-4-5-14)11-13-6-9-19-10-7-13/h12-14,19H,2-11H2,1H3
InChIKeyZFRPMGOYUZZDFI-UHFFFAOYSA-N
MW292.39 g/mol
LogP3.57
Rot. Bonds7

About N-(piperidin-4-ylmethyl)-N-(6,6,6-trifluorohexan-2-yl)cyclopropanamine

N-(piperidin-4-ylmethyl)-N-(6,6,6-trifluorohexan-2-yl)cyclopropanamine (PubChem CID 116535691) has the molecular formula C15H27F3N2 and a molecular weight of 292.39 g/mol. Its IUPAC name is N-(piperidin-4-ylmethyl)-N-(6,6,6-trifluorohexan-2-yl)cyclopropanamine.

Molecular Properties

Compound NameN-(piperidin-4-ylmethyl)-N-(6,6,6-trifluorohexan-2-yl)cyclopropanamine
PubChem CID116535691
Molecular FormulaC15H27F3N2
Molecular Weight292.39 g/mol
Exact Mass292.21
IUPAC NameN-(piperidin-4-ylmethyl)-N-(6,6,6-trifluorohexan-2-yl)cyclopropanamine
SMILESCC(CCCC(F)(F)F)N(CC1CCNCC1)C1CC1
InChIInChI=1S/C15H27F3N2/c1-12(3-2-8-15(16,17)18)20(14-4-5-14)11-13-6-9-19-10-7-13/h12-14,19H,2-11H2,1H3
InChIKeyZFRPMGOYUZZDFI-UHFFFAOYSA-N
XLogP3.57
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.39
LogP ≤ 53.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

4-[2-[cyclopropyl(piperidin-4-ylmethyl)amino]propyl]phenol
CID 115496134
N-(1-cyclopropylethyl)-N-(piperidin-4-ylmethyl)cyclopropanamine
CID 79715152
N-(piperidin-4-ylmethyl)-N-propan-2-ylcyclobutanamine;hydrochloride
CID 119932017
ethyl 2-[cyclopropyl(piperidin-4-ylmethyl)amino]pentanoate
CID 83050233
3-(6,6,6-trifluorohexan-2-yl)pyrrolidine
CID 116536150
2-[cyclopropyl(piperidin-4-ylmethyl)amino]-N-(ethylcarbamoyl)propanamide
CID 79703748
N-methyl-N-(piperidin-4-ylmethyl)heptan-2-amine
CID 80558048
5-[1-[cyclopropyl(piperidin-4-ylmethyl)amino]ethyl]benzene-1,3-diol
CID 107707670
N-methyl-N-(6,6,6-trifluorohexan-2-yl)-8-azabicyclo[3.2.1]octan-3-amine
CID 116535628
N-ethyl-2,2,2-trifluoro-N-(piperidin-4-ylmethyl)ethanamine;hydrochloride
CID 119930511
N-ethyl-N-(piperidin-4-ylmethyl)-4-(trifluoromethyl)cyclohexan-1-amine
CID 79715457
N-methyl-N-(4,4,4-trifluorobutyl)piperidin-4-amine
CID 115514843

Frequently Asked Questions

What is the IUPAC name of N-(piperidin-4-ylmethyl)-N-(6,6,6-trifluorohexan-2-yl)cyclopropanamine?
The IUPAC name of N-(piperidin-4-ylmethyl)-N-(6,6,6-trifluorohexan-2-yl)cyclopropanamine (CID 116535691) is N-(piperidin-4-ylmethyl)-N-(6,6,6-trifluorohexan-2-yl)cyclopropanamine.
What is the SMILES notation for N-(piperidin-4-ylmethyl)-N-(6,6,6-trifluorohexan-2-yl)cyclopropanamine?
The canonical SMILES for N-(piperidin-4-ylmethyl)-N-(6,6,6-trifluorohexan-2-yl)cyclopropanamine is CC(CCCC(F)(F)F)N(CC1CCNCC1)C1CC1.
What is the InChIKey of N-(piperidin-4-ylmethyl)-N-(6,6,6-trifluorohexan-2-yl)cyclopropanamine?
The InChIKey is ZFRPMGOYUZZDFI-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H27F3N2/c1-12(3-2-8-15(16,17)18)20(14-4-5-14)11-13-6-9-19-10-7-13/h12-14,19H,2-11H2,1H3.
What are the key properties of N-(piperidin-4-ylmethyl)-N-(6,6,6-trifluorohexan-2-yl)cyclopropanamine?
N-(piperidin-4-ylmethyl)-N-(6,6,6-trifluorohexan-2-yl)cyclopropanamine has a molecular weight of 292.39 g/mol, XLogP of 3.57, 7 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-(6,6,6-trifluorohexan-2-yl)cyclopropanamine is sourced from PubChem (CID 116535691), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).