1,5-diethyl-N-(2,2,2-trifluoroethyl)piperidin-3-amine

C11H21F3N2 — CID 83992094

IUPAC1,5-diethyl-N-(2,2,2-trifluoroethyl)piperidin-3-amine
SMILESCCC1CC(NCC(F)(F)F)CN(CC)C1
InChIInChI=1S/C11H21F3N2/c1-3-9-5-10(7-16(4-2)6-9)15-8-11(12,13)14/h9-10,15H,3-8H2,1-2H3
InChIKeyWURIYKPGCAVOQP-UHFFFAOYSA-N
MW238.30 g/mol
LogP2.26
Rot. Bonds4

About 1,5-diethyl-N-(2,2,2-trifluoroethyl)piperidin-3-amine

1,5-diethyl-N-(2,2,2-trifluoroethyl)piperidin-3-amine (PubChem CID 83992094) has the molecular formula C11H21F3N2 and a molecular weight of 238.30 g/mol. Its IUPAC name is 1,5-diethyl-N-(2,2,2-trifluoroethyl)piperidin-3-amine.

Molecular Properties

Compound Name1,5-diethyl-N-(2,2,2-trifluoroethyl)piperidin-3-amine
PubChem CID83992094
Molecular FormulaC11H21F3N2
Molecular Weight238.30 g/mol
Exact Mass238.17
IUPAC Name1,5-diethyl-N-(2,2,2-trifluoroethyl)piperidin-3-amine
SMILESCCC1CC(NCC(F)(F)F)CN(CC)C1
InChIInChI=1S/C11H21F3N2/c1-3-9-5-10(7-16(4-2)6-9)15-8-11(12,13)14/h9-10,15H,3-8H2,1-2H3
InChIKeyWURIYKPGCAVOQP-UHFFFAOYSA-N
XLogP2.26
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.30
LogP ≤ 52.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-(1,4-Dimethylpiperazin-2-yl)-3-methylpentan-1-amine
CID 3052885
1-(4-Methylpiperidin-1-yl)propan-2-amine
CID 12700153
rac-(2R,4S)-4-methyl-2-(trifluoromethyl)piperidine
CID 52810925
3-Isobutyl-1-methylpiperazine
CID 64833232
2-(3-Methylpiperidin-1-yl)propan-1-amine
CID 16641456
1-(3-Methylpiperidin-1-yl)propan-2-amine
CID 16783223
1-(3,5-Dimethylpiperidin-1-yl)propan-2-amine
CID 16794632
4-(3,3-Difluorobutyl)piperidine
CID 84656072
rac-((2R,4S)-4-methylpiperidin-2-yl)methanamine
CID 124575153
9,9-Difluoro-4-methyl-1,4-diazaspiro[5.5]undecane
CID 177801745
(2S,5S)-2,5-Diisobutylpiperazine
CID 15129307
3-Methyl-2-(4-methylpiperidin-1-yl)butan-1-amine
CID 16791955

Frequently Asked Questions

What is the IUPAC name of 1,5-diethyl-N-(2,2,2-trifluoroethyl)piperidin-3-amine?
The IUPAC name of 1,5-diethyl-N-(2,2,2-trifluoroethyl)piperidin-3-amine (CID 83992094) is 1,5-diethyl-N-(2,2,2-trifluoroethyl)piperidin-3-amine.
What is the SMILES notation for 1,5-diethyl-N-(2,2,2-trifluoroethyl)piperidin-3-amine?
The canonical SMILES for 1,5-diethyl-N-(2,2,2-trifluoroethyl)piperidin-3-amine is CCC1CC(NCC(F)(F)F)CN(CC)C1.
What is the InChIKey of 1,5-diethyl-N-(2,2,2-trifluoroethyl)piperidin-3-amine?
The InChIKey is WURIYKPGCAVOQP-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H21F3N2/c1-3-9-5-10(7-16(4-2)6-9)15-8-11(12,13)14/h9-10,15H,3-8H2,1-2H3.
What are the key properties of 1,5-diethyl-N-(2,2,2-trifluoroethyl)piperidin-3-amine?
1,5-diethyl-N-(2,2,2-trifluoroethyl)piperidin-3-amine has a molecular weight of 238.30 g/mol, XLogP of 2.26, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1,5-diethyl-N-(2,2,2-trifluoroethyl)piperidin-3-amine is sourced from PubChem (CID 83992094), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).