N-[2-(1-methylpiperidin-4-yl)ethyl]-2-(trifluoromethyl)cyclohexan-1-amine

C15H27F3N2 — CID 114515257

IUPACN-[2-(1-methylpiperidin-4-yl)ethyl]-2-(trifluoromethyl)cyclohexan-1-amine
SMILESCN1CCC(CCNC2CCCCC2C(F)(F)F)CC1
InChIInChI=1S/C15H27F3N2/c1-20-10-7-12(8-11-20)6-9-19-14-5-3-2-4-13(14)15(16,17)18/h12-14,19H,2-11H2,1H3
InChIKeyRFZJOWYNYJIBPQ-UHFFFAOYSA-N
MW292.39 g/mol
LogP3.43
Rot. Bonds4

About N-[2-(1-methylpiperidin-4-yl)ethyl]-2-(trifluoromethyl)cyclohexan-1-amine

N-[2-(1-methylpiperidin-4-yl)ethyl]-2-(trifluoromethyl)cyclohexan-1-amine (PubChem CID 114515257) has the molecular formula C15H27F3N2 and a molecular weight of 292.39 g/mol. Its IUPAC name is N-[2-(1-methylpiperidin-4-yl)ethyl]-2-(trifluoromethyl)cyclohexan-1-amine.

Molecular Properties

Compound NameN-[2-(1-methylpiperidin-4-yl)ethyl]-2-(trifluoromethyl)cyclohexan-1-amine
PubChem CID114515257
Molecular FormulaC15H27F3N2
Molecular Weight292.39 g/mol
Exact Mass292.21
IUPAC NameN-[2-(1-methylpiperidin-4-yl)ethyl]-2-(trifluoromethyl)cyclohexan-1-amine
SMILESCN1CCC(CCNC2CCCCC2C(F)(F)F)CC1
InChIInChI=1S/C15H27F3N2/c1-20-10-7-12(8-11-20)6-9-19-14-5-3-2-4-13(14)15(16,17)18/h12-14,19H,2-11H2,1H3
InChIKeyRFZJOWYNYJIBPQ-UHFFFAOYSA-N
XLogP3.43
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.39
LogP ≤ 53.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-(cyclohexylmethyl)-1-ethylpiperidin-4-amine
CID 2846481
1-methyl-N-(2-methylcyclohexyl)piperidin-4-amine
CID 2846586
4-(3,3-Difluorobutyl)piperidine
CID 84656072
rac-(1R,2S)-N-methyl-2-(trifluoromethyl)cyclohexan-1-amine
CID 124508979
4,4-Difluoro-decahydroquinoline hydrochloride
CID 167734219
9,9-Difluoro-4-methyl-1,4-diazaspiro[5.5]undecane
CID 177801745
9,9-Difluoro-1-methyl-1,4-diazaspiro[5.5]undecane dihydrochloride
CID 177801805
N-[(1S)-1-cyclohexylethyl]-2,2,2-trifluoroethanamine
CID 81385216
[(1S)-1-cyclohexylethyl]-(2,2,2-trifluoroethyl)azanium
CID 164667452
(3S)-1-(cyclohexylmethyl)-N-(4,4,4-trifluorobutyl)piperidin-3-amine
CID 51633656
2-methyl-N-(2-piperidin-1-ylethyl)cyclohexan-1-amine
CID 60688929
N-[1-(4-methylpiperazin-1-yl)propan-2-yl]-3-(trifluoromethyl)cyclohexan-1-amine
CID 119043952

Frequently Asked Questions

What is the IUPAC name of N-[2-(1-methylpiperidin-4-yl)ethyl]-2-(trifluoromethyl)cyclohexan-1-amine?
The IUPAC name of N-[2-(1-methylpiperidin-4-yl)ethyl]-2-(trifluoromethyl)cyclohexan-1-amine (CID 114515257) is N-[2-(1-methylpiperidin-4-yl)ethyl]-2-(trifluoromethyl)cyclohexan-1-amine.
What is the SMILES notation for N-[2-(1-methylpiperidin-4-yl)ethyl]-2-(trifluoromethyl)cyclohexan-1-amine?
The canonical SMILES for N-[2-(1-methylpiperidin-4-yl)ethyl]-2-(trifluoromethyl)cyclohexan-1-amine is CN1CCC(CCNC2CCCCC2C(F)(F)F)CC1.
What is the InChIKey of N-[2-(1-methylpiperidin-4-yl)ethyl]-2-(trifluoromethyl)cyclohexan-1-amine?
The InChIKey is RFZJOWYNYJIBPQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H27F3N2/c1-20-10-7-12(8-11-20)6-9-19-14-5-3-2-4-13(14)15(16,17)18/h12-14,19H,2-11H2,1H3.
What are the key properties of N-[2-(1-methylpiperidin-4-yl)ethyl]-2-(trifluoromethyl)cyclohexan-1-amine?
N-[2-(1-methylpiperidin-4-yl)ethyl]-2-(trifluoromethyl)cyclohexan-1-amine has a molecular weight of 292.39 g/mol, XLogP of 3.43, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(1-methylpiperidin-4-yl)ethyl]-2-(trifluoromethyl)cyclohexan-1-amine is sourced from PubChem (CID 114515257), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).