N-methyl-N-(2-piperazin-1-ylethyl)-3-(trifluoromethyl)cyclohexan-1-amine

C14H26F3N3 — CID 64757824

IUPACN-methyl-N-(2-piperazin-1-ylethyl)-3-(trifluoromethyl)cyclohexan-1-amine
SMILESCN(CCN1CCNCC1)C1CCCC(C(F)(F)F)C1
InChIInChI=1S/C14H26F3N3/c1-19(9-10-20-7-5-18-6-8-20)13-4-2-3-12(11-13)14(15,16)17/h12-13,18H,2-11H2,1H3
InChIKeyAFXVXILBMXWHFW-UHFFFAOYSA-N
MW293.38 g/mol
LogP1.94
Rot. Bonds4

About N-methyl-N-(2-piperazin-1-ylethyl)-3-(trifluoromethyl)cyclohexan-1-amine

N-methyl-N-(2-piperazin-1-ylethyl)-3-(trifluoromethyl)cyclohexan-1-amine (PubChem CID 64757824) has the molecular formula C14H26F3N3 and a molecular weight of 293.38 g/mol. Its IUPAC name is N-methyl-N-(2-piperazin-1-ylethyl)-3-(trifluoromethyl)cyclohexan-1-amine.

Molecular Properties

Compound NameN-methyl-N-(2-piperazin-1-ylethyl)-3-(trifluoromethyl)cyclohexan-1-amine
PubChem CID64757824
Molecular FormulaC14H26F3N3
Molecular Weight293.38 g/mol
Exact Mass293.21
IUPAC NameN-methyl-N-(2-piperazin-1-ylethyl)-3-(trifluoromethyl)cyclohexan-1-amine
SMILESCN(CCN1CCNCC1)C1CCCC(C(F)(F)F)C1
InChIInChI=1S/C14H26F3N3/c1-19(9-10-20-7-5-18-6-8-20)13-4-2-3-12(11-13)14(15,16)17/h12-13,18H,2-11H2,1H3
InChIKeyAFXVXILBMXWHFW-UHFFFAOYSA-N
XLogP1.94
TPSA18.51 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.38
LogP ≤ 51.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-tert-butyl-N-methyl-N-(2-piperazin-1-ylethyl)cycloheptan-1-amine
CID 65094562
1-ethyl-N-methyl-N-(2-piperazin-1-ylethyl)azepan-4-amine
CID 65077785
N-methyl-N-(3-piperazin-1-ylpropyl)cycloheptanamine
CID 117029722
N-methyl-N-(4-piperazin-1-ylbutyl)cyclohexanamine
CID 115240363
N-methyl-N-[3-(trifluoromethyl)cyclohexyl]azepan-4-amine
CID 107171989
N-[2-(1,4-diazepan-1-yl)ethyl]-N-methylthiolan-3-amine
CID 62832766
1-N,4-dimethyl-1-N-[3-(trifluoromethyl)cyclohexyl]pentane-1,3-diamine
CID 115317208
N-(cyclobutylmethyl)-N-methyl-2-piperazin-1-ylethanamine
CID 62860620
N-cyclobutyl-N-methyl-3-piperazin-1-ylpropanamide
CID 115171758
N-methyl-2-piperazin-1-yl-N-[[4-(trifluoromethyl)phenyl]methyl]ethanamine
CID 63267585
1-[3-(trifluoromethyl)cyclohexyl]-1,4-diazepane
CID 64759654
1-(2-cyclobutyl-2-methylpropyl)piperazine
CID 116829836

Frequently Asked Questions

What is the IUPAC name of N-methyl-N-(2-piperazin-1-ylethyl)-3-(trifluoromethyl)cyclohexan-1-amine?
The IUPAC name of N-methyl-N-(2-piperazin-1-ylethyl)-3-(trifluoromethyl)cyclohexan-1-amine (CID 64757824) is N-methyl-N-(2-piperazin-1-ylethyl)-3-(trifluoromethyl)cyclohexan-1-amine.
What is the SMILES notation for N-methyl-N-(2-piperazin-1-ylethyl)-3-(trifluoromethyl)cyclohexan-1-amine?
The canonical SMILES for N-methyl-N-(2-piperazin-1-ylethyl)-3-(trifluoromethyl)cyclohexan-1-amine is CN(CCN1CCNCC1)C1CCCC(C(F)(F)F)C1.
What is the InChIKey of N-methyl-N-(2-piperazin-1-ylethyl)-3-(trifluoromethyl)cyclohexan-1-amine?
The InChIKey is AFXVXILBMXWHFW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H26F3N3/c1-19(9-10-20-7-5-18-6-8-20)13-4-2-3-12(11-13)14(15,16)17/h12-13,18H,2-11H2,1H3.
What are the key properties of N-methyl-N-(2-piperazin-1-ylethyl)-3-(trifluoromethyl)cyclohexan-1-amine?
N-methyl-N-(2-piperazin-1-ylethyl)-3-(trifluoromethyl)cyclohexan-1-amine has a molecular weight of 293.38 g/mol, XLogP of 1.94, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-N-(2-piperazin-1-ylethyl)-3-(trifluoromethyl)cyclohexan-1-amine is sourced from PubChem (CID 64757824), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).