2-(4,4-diethylpiperidin-1-yl)-6,6,6-trifluoro-2-methylhexan-1-amine

C16H31F3N2 — CID 116535294

IUPAC2-(4,4-diethylpiperidin-1-yl)-6,6,6-trifluoro-2-methylhexan-1-amine
SMILESCCC1(CC)CCN(C(C)(CN)CCCC(F)(F)F)CC1
InChIInChI=1S/C16H31F3N2/c1-4-15(5-2)9-11-21(12-10-15)14(3,13-20)7-6-8-16(17,18)19/h4-13,20H2,1-3H3
InChIKeyKXOJMQYPLJUXSS-UHFFFAOYSA-N
MW308.43 g/mol
LogP4.34
Rot. Bonds7

About 2-(4,4-diethylpiperidin-1-yl)-6,6,6-trifluoro-2-methylhexan-1-amine

2-(4,4-diethylpiperidin-1-yl)-6,6,6-trifluoro-2-methylhexan-1-amine (PubChem CID 116535294) has the molecular formula C16H31F3N2 and a molecular weight of 308.43 g/mol. Its IUPAC name is 2-(4,4-diethylpiperidin-1-yl)-6,6,6-trifluoro-2-methylhexan-1-amine.

Molecular Properties

Compound Name2-(4,4-diethylpiperidin-1-yl)-6,6,6-trifluoro-2-methylhexan-1-amine
PubChem CID116535294
Molecular FormulaC16H31F3N2
Molecular Weight308.43 g/mol
Exact Mass308.24
IUPAC Name2-(4,4-diethylpiperidin-1-yl)-6,6,6-trifluoro-2-methylhexan-1-amine
SMILESCCC1(CC)CCN(C(C)(CN)CCCC(F)(F)F)CC1
InChIInChI=1S/C16H31F3N2/c1-4-15(5-2)9-11-21(12-10-15)14(3,13-20)7-6-8-16(17,18)19/h4-13,20H2,1-3H3
InChIKeyKXOJMQYPLJUXSS-UHFFFAOYSA-N
XLogP4.34
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.43
LogP ≤ 54.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-Tert-butyl-4-(3,3-difluoro-4,4-dimethylpentyl)piperazine
CID 58055843
3-(Difluoromethyl)-1-ethylpiperidin-3-amine
CID 89364714
[1-(4,4-Difluoropiperidin-1-yl)cyclohexyl]methanamine
CID 117738681
2-(3,3-Difluoropiperidin-1-yl)-2-methylpropan-1-amine
CID 118185604
(3S,5R)-1-(3-methylhexan-3-yl)-5-(trifluoromethyl)piperidin-3-amine
CID 126512606
1-(aminomethyl)-4,4-difluoro-N-pentyl-N-propylcyclohexan-1-amine
CID 134567032
1-(4,4-difluoro-1-piperidin-1-ylcyclohexyl)-N-methylmethanamine
CID 134567171
1-Tert-butyl-4-[5,5-dimethyl-3-(trifluoromethyl)hexyl]piperazine
CID 135165076
(3R,5S)-1-(3-methylhexan-3-yl)-5-(trifluoromethyl)piperidin-3-amine
CID 135213107
[(2S,3R)-5,5-difluoro-1,3-dimethylpiperidin-2-yl]methanamine
CID 138624276
1-(3,3-Dimethylpentyl)-3,3-difluoropiperazine
CID 155118505
1-(3,3-Dimethylpentyl)-2,2-difluoropiperazine
CID 155118517

Frequently Asked Questions

What is the IUPAC name of 2-(4,4-diethylpiperidin-1-yl)-6,6,6-trifluoro-2-methylhexan-1-amine?
The IUPAC name of 2-(4,4-diethylpiperidin-1-yl)-6,6,6-trifluoro-2-methylhexan-1-amine (CID 116535294) is 2-(4,4-diethylpiperidin-1-yl)-6,6,6-trifluoro-2-methylhexan-1-amine.
What is the SMILES notation for 2-(4,4-diethylpiperidin-1-yl)-6,6,6-trifluoro-2-methylhexan-1-amine?
The canonical SMILES for 2-(4,4-diethylpiperidin-1-yl)-6,6,6-trifluoro-2-methylhexan-1-amine is CCC1(CC)CCN(C(C)(CN)CCCC(F)(F)F)CC1.
What is the InChIKey of 2-(4,4-diethylpiperidin-1-yl)-6,6,6-trifluoro-2-methylhexan-1-amine?
The InChIKey is KXOJMQYPLJUXSS-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H31F3N2/c1-4-15(5-2)9-11-21(12-10-15)14(3,13-20)7-6-8-16(17,18)19/h4-13,20H2,1-3H3.
What are the key properties of 2-(4,4-diethylpiperidin-1-yl)-6,6,6-trifluoro-2-methylhexan-1-amine?
2-(4,4-diethylpiperidin-1-yl)-6,6,6-trifluoro-2-methylhexan-1-amine has a molecular weight of 308.43 g/mol, XLogP of 4.34, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4,4-diethylpiperidin-1-yl)-6,6,6-trifluoro-2-methylhexan-1-amine is sourced from PubChem (CID 116535294), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).