N-methyl-3-[4-(trifluoromethyl)piperidin-1-yl]cyclohexan-1-amine

C13H23F3N2 — CID 79619057

IUPACN-methyl-3-[4-(trifluoromethyl)piperidin-1-yl]cyclohexan-1-amine
SMILESCNC1CCCC(N2CCC(C(F)(F)F)CC2)C1
InChIInChI=1S/C13H23F3N2/c1-17-11-3-2-4-12(9-11)18-7-5-10(6-8-18)13(14,15)16/h10-12,17H,2-9H2,1H3
InChIKeyOVHPQGWYMXKABU-UHFFFAOYSA-N
MW264.33 g/mol
LogP2.79
Rot. Bonds2

About N-methyl-3-[4-(trifluoromethyl)piperidin-1-yl]cyclohexan-1-amine

N-methyl-3-[4-(trifluoromethyl)piperidin-1-yl]cyclohexan-1-amine (PubChem CID 79619057) has the molecular formula C13H23F3N2 and a molecular weight of 264.33 g/mol. Its IUPAC name is N-methyl-3-[4-(trifluoromethyl)piperidin-1-yl]cyclohexan-1-amine.

Molecular Properties

Compound NameN-methyl-3-[4-(trifluoromethyl)piperidin-1-yl]cyclohexan-1-amine
PubChem CID79619057
Molecular FormulaC13H23F3N2
Molecular Weight264.33 g/mol
Exact Mass264.18
IUPAC NameN-methyl-3-[4-(trifluoromethyl)piperidin-1-yl]cyclohexan-1-amine
SMILESCNC1CCCC(N2CCC(C(F)(F)F)CC2)C1
InChIInChI=1S/C13H23F3N2/c1-17-11-3-2-4-12(9-11)18-7-5-10(6-8-18)13(14,15)16/h10-12,17H,2-9H2,1H3
InChIKeyOVHPQGWYMXKABU-UHFFFAOYSA-N
XLogP2.79
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.33
LogP ≤ 52.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-methyl-3-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]cyclohexan-1-amine
CID 79619155
(3R)-N-methyl-3-(4-methylpiperazin-1-yl)cyclohexan-1-amine
CID 70920710
N-methyl-3-(4-methylazepan-1-yl)cyclohexan-1-amine
CID 79619483
3-(4-methoxypiperidin-1-yl)-N-methylcyclohexan-1-amine
CID 79631436
3-(4-ethylazepan-1-yl)-N-methylcyclohexan-1-amine
CID 79618405
3-(4-ethylpiperazin-1-yl)-N-methylcyclohexan-1-amine
CID 58236041
N-methyl-1-[4-(trifluoromethyl)cyclohexyl]pyrrolidin-3-amine
CID 113281847
3-[4-(cyclopropylmethyl)piperazin-1-yl]-N-methylcyclohexan-1-amine
CID 79617933
3-(3,5-dimethylpiperidin-1-yl)-N-methylcyclohexan-1-amine
CID 79630762
N-ethyl-3-(4-ethylpiperidin-1-yl)cyclohexan-1-amine
CID 79630874
N,N-dimethyl-1-[3-(methylamino)cyclopentyl]piperidin-4-amine
CID 79644123
1-(azetidin-3-yl)-4-[3-(trifluoromethyl)cyclohexyl]piperazine
CID 66203283

Frequently Asked Questions

What is the IUPAC name of N-methyl-3-[4-(trifluoromethyl)piperidin-1-yl]cyclohexan-1-amine?
The IUPAC name of N-methyl-3-[4-(trifluoromethyl)piperidin-1-yl]cyclohexan-1-amine (CID 79619057) is N-methyl-3-[4-(trifluoromethyl)piperidin-1-yl]cyclohexan-1-amine.
What is the SMILES notation for N-methyl-3-[4-(trifluoromethyl)piperidin-1-yl]cyclohexan-1-amine?
The canonical SMILES for N-methyl-3-[4-(trifluoromethyl)piperidin-1-yl]cyclohexan-1-amine is CNC1CCCC(N2CCC(C(F)(F)F)CC2)C1.
What is the InChIKey of N-methyl-3-[4-(trifluoromethyl)piperidin-1-yl]cyclohexan-1-amine?
The InChIKey is OVHPQGWYMXKABU-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H23F3N2/c1-17-11-3-2-4-12(9-11)18-7-5-10(6-8-18)13(14,15)16/h10-12,17H,2-9H2,1H3.
What are the key properties of N-methyl-3-[4-(trifluoromethyl)piperidin-1-yl]cyclohexan-1-amine?
N-methyl-3-[4-(trifluoromethyl)piperidin-1-yl]cyclohexan-1-amine has a molecular weight of 264.33 g/mol, XLogP of 2.79, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-3-[4-(trifluoromethyl)piperidin-1-yl]cyclohexan-1-amine is sourced from PubChem (CID 79619057), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).