N-[1-(4-methylpiperazin-1-yl)propan-2-yl]-3-(trifluoromethyl)cyclohexan-1-amine

C15H28F3N3 — CID 119043952

IUPACN-[1-(4-methylpiperazin-1-yl)propan-2-yl]-3-(trifluoromethyl)cyclohexan-1-amine
SMILESCC(CN1CCN(C)CC1)NC1CCCC(C(F)(F)F)C1
InChIInChI=1S/C15H28F3N3/c1-12(11-21-8-6-20(2)7-9-21)19-14-5-3-4-13(10-14)15(16,17)18/h12-14,19H,3-11H2,1-2H3
InChIKeyTWINCWVESVIWMJ-UHFFFAOYSA-N
MW307.40 g/mol
LogP2.33
Rot. Bonds4

About N-[1-(4-methylpiperazin-1-yl)propan-2-yl]-3-(trifluoromethyl)cyclohexan-1-amine

N-[1-(4-methylpiperazin-1-yl)propan-2-yl]-3-(trifluoromethyl)cyclohexan-1-amine (PubChem CID 119043952) has the molecular formula C15H28F3N3 and a molecular weight of 307.40 g/mol. Its IUPAC name is N-[1-(4-methylpiperazin-1-yl)propan-2-yl]-3-(trifluoromethyl)cyclohexan-1-amine.

Molecular Properties

Compound NameN-[1-(4-methylpiperazin-1-yl)propan-2-yl]-3-(trifluoromethyl)cyclohexan-1-amine
PubChem CID119043952
Molecular FormulaC15H28F3N3
Molecular Weight307.40 g/mol
Exact Mass307.22
IUPAC NameN-[1-(4-methylpiperazin-1-yl)propan-2-yl]-3-(trifluoromethyl)cyclohexan-1-amine
SMILESCC(CN1CCN(C)CC1)NC1CCCC(C(F)(F)F)C1
InChIInChI=1S/C15H28F3N3/c1-12(11-21-8-6-20(2)7-9-21)19-14-5-3-4-13(10-14)15(16,17)18/h12-14,19H,3-11H2,1-2H3
InChIKeyTWINCWVESVIWMJ-UHFFFAOYSA-N
XLogP2.33
TPSA18.51 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.40
LogP ≤ 52.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(4-Methyl-cyclohexyl)-piperazinehydrochloride
CID 16188159
(2S,3S)-2-((R)-4-(3-cyclohexylpropyl)-3-isopropylpiperazin-1-yl)-N,3-dimethylpentan-1-amine
CID 45482257
I(2)-Cyclohexyl-4-methyl-1-piperazineethanamine
CID 16789275
1-(4-Methylcyclohexyl)piperazine
CID 796165
1-(3,3-Dimethylcyclohexyl)piperazine
CID 64467057
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
(4-Methylcyclohexyl)[2-(1-piperidinyl)ethyl]amine
CID 3525972
Sdccgsbi-0662976.P001
CID 104744316
(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
2-(4-Fluorocyclohexyl)-5-methylpiperazine
CID 20603163

Frequently Asked Questions

What is the IUPAC name of N-[1-(4-methylpiperazin-1-yl)propan-2-yl]-3-(trifluoromethyl)cyclohexan-1-amine?
The IUPAC name of N-[1-(4-methylpiperazin-1-yl)propan-2-yl]-3-(trifluoromethyl)cyclohexan-1-amine (CID 119043952) is N-[1-(4-methylpiperazin-1-yl)propan-2-yl]-3-(trifluoromethyl)cyclohexan-1-amine.
What is the SMILES notation for N-[1-(4-methylpiperazin-1-yl)propan-2-yl]-3-(trifluoromethyl)cyclohexan-1-amine?
The canonical SMILES for N-[1-(4-methylpiperazin-1-yl)propan-2-yl]-3-(trifluoromethyl)cyclohexan-1-amine is CC(CN1CCN(C)CC1)NC1CCCC(C(F)(F)F)C1.
What is the InChIKey of N-[1-(4-methylpiperazin-1-yl)propan-2-yl]-3-(trifluoromethyl)cyclohexan-1-amine?
The InChIKey is TWINCWVESVIWMJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H28F3N3/c1-12(11-21-8-6-20(2)7-9-21)19-14-5-3-4-13(10-14)15(16,17)18/h12-14,19H,3-11H2,1-2H3.
What are the key properties of N-[1-(4-methylpiperazin-1-yl)propan-2-yl]-3-(trifluoromethyl)cyclohexan-1-amine?
N-[1-(4-methylpiperazin-1-yl)propan-2-yl]-3-(trifluoromethyl)cyclohexan-1-amine has a molecular weight of 307.40 g/mol, XLogP of 2.33, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(4-methylpiperazin-1-yl)propan-2-yl]-3-(trifluoromethyl)cyclohexan-1-amine is sourced from PubChem (CID 119043952), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).