[4-methyl-1-(6,6,6-trifluorohexan-2-yl)piperazin-2-yl]methanamine

C12H24F3N3 — CID 116535695

IUPAC[4-methyl-1-(6,6,6-trifluorohexan-2-yl)piperazin-2-yl]methanamine
SMILESCC(CCCC(F)(F)F)N1CCN(C)CC1CN
InChIInChI=1S/C12H24F3N3/c1-10(4-3-5-12(13,14)15)18-7-6-17(2)9-11(18)8-16/h10-11H,3-9,16H2,1-2H3
InChIKeyYNOABNPVJYHKFI-UHFFFAOYSA-N
MW267.34 g/mol
LogP1.68
Rot. Bonds5

About [4-methyl-1-(6,6,6-trifluorohexan-2-yl)piperazin-2-yl]methanamine

[4-methyl-1-(6,6,6-trifluorohexan-2-yl)piperazin-2-yl]methanamine (PubChem CID 116535695) has the molecular formula C12H24F3N3 and a molecular weight of 267.34 g/mol. Its IUPAC name is [4-methyl-1-(6,6,6-trifluorohexan-2-yl)piperazin-2-yl]methanamine.

Molecular Properties

Compound Name[4-methyl-1-(6,6,6-trifluorohexan-2-yl)piperazin-2-yl]methanamine
PubChem CID116535695
Molecular FormulaC12H24F3N3
Molecular Weight267.34 g/mol
Exact Mass267.19
IUPAC Name[4-methyl-1-(6,6,6-trifluorohexan-2-yl)piperazin-2-yl]methanamine
SMILESCC(CCCC(F)(F)F)N1CCN(C)CC1CN
InChIInChI=1S/C12H24F3N3/c1-10(4-3-5-12(13,14)15)18-7-6-17(2)9-11(18)8-16/h10-11H,3-9,16H2,1-2H3
InChIKeyYNOABNPVJYHKFI-UHFFFAOYSA-N
XLogP1.68
TPSA32.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.34
LogP ≤ 51.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(1-Methylpiperidin-2-yl)methanamine
CID 2794677
N-(2-Piperidylmethyl)-dimethylamine
CID 252484
2-(2-Methylpiperidin-1-yl)ethan-1-amine
CID 3149263
1-(2,2,2-Trifluoroethyl)piperidin-4-amine
CID 16228722
1-(2,2-Difluoroethyl)-4-piperidinamine
CID 25252389
N,1-dimethyl-N-[2-(methylamino)ethyl]piperidin-4-amine
CID 28598734
2-(2-Ethylpiperidin-1-yl)ethan-1-amine
CID 6422628
1-Propylpiperidin-3-amine
CID 18464262
1-(3-Aminopropyl)-2-pipecoline
CID 520211
1-(2-Aminopropyl)piperidine
CID 118143
2-(cis-2,6-Dimethyl-1-piperidinyl)ethanamine
CID 783702
1-Ethylpiperidine-2-methylamine
CID 3015941

Frequently Asked Questions

What is the IUPAC name of [4-methyl-1-(6,6,6-trifluorohexan-2-yl)piperazin-2-yl]methanamine?
The IUPAC name of [4-methyl-1-(6,6,6-trifluorohexan-2-yl)piperazin-2-yl]methanamine (CID 116535695) is [4-methyl-1-(6,6,6-trifluorohexan-2-yl)piperazin-2-yl]methanamine.
What is the SMILES notation for [4-methyl-1-(6,6,6-trifluorohexan-2-yl)piperazin-2-yl]methanamine?
The canonical SMILES for [4-methyl-1-(6,6,6-trifluorohexan-2-yl)piperazin-2-yl]methanamine is CC(CCCC(F)(F)F)N1CCN(C)CC1CN.
What is the InChIKey of [4-methyl-1-(6,6,6-trifluorohexan-2-yl)piperazin-2-yl]methanamine?
The InChIKey is YNOABNPVJYHKFI-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H24F3N3/c1-10(4-3-5-12(13,14)15)18-7-6-17(2)9-11(18)8-16/h10-11H,3-9,16H2,1-2H3.
What are the key properties of [4-methyl-1-(6,6,6-trifluorohexan-2-yl)piperazin-2-yl]methanamine?
[4-methyl-1-(6,6,6-trifluorohexan-2-yl)piperazin-2-yl]methanamine has a molecular weight of 267.34 g/mol, XLogP of 1.68, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [4-methyl-1-(6,6,6-trifluorohexan-2-yl)piperazin-2-yl]methanamine is sourced from PubChem (CID 116535695), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).