2-(2,5-dimethylpiperidin-1-yl)-6,6,6-trifluoro-2-methylhexan-1-amine

C14H27F3N2 — CID 116535365

IUPAC2-(2,5-dimethylpiperidin-1-yl)-6,6,6-trifluoro-2-methylhexan-1-amine
SMILESCC1CCC(C)N(C(C)(CN)CCCC(F)(F)F)C1
InChIInChI=1S/C14H27F3N2/c1-11-5-6-12(2)19(9-11)13(3,10-18)7-4-8-14(15,16)17/h11-12H,4-10,18H2,1-3H3
InChIKeyYSURFMWSWPFVOX-UHFFFAOYSA-N
MW280.38 g/mol
LogP3.56
Rot. Bonds5

About 2-(2,5-dimethylpiperidin-1-yl)-6,6,6-trifluoro-2-methylhexan-1-amine

2-(2,5-dimethylpiperidin-1-yl)-6,6,6-trifluoro-2-methylhexan-1-amine (PubChem CID 116535365) has the molecular formula C14H27F3N2 and a molecular weight of 280.38 g/mol. Its IUPAC name is 2-(2,5-dimethylpiperidin-1-yl)-6,6,6-trifluoro-2-methylhexan-1-amine.

Molecular Properties

Compound Name2-(2,5-dimethylpiperidin-1-yl)-6,6,6-trifluoro-2-methylhexan-1-amine
PubChem CID116535365
Molecular FormulaC14H27F3N2
Molecular Weight280.38 g/mol
Exact Mass280.21
IUPAC Name2-(2,5-dimethylpiperidin-1-yl)-6,6,6-trifluoro-2-methylhexan-1-amine
SMILESCC1CCC(C)N(C(C)(CN)CCCC(F)(F)F)C1
InChIInChI=1S/C14H27F3N2/c1-11-5-6-12(2)19(9-11)13(3,10-18)7-4-8-14(15,16)17/h11-12H,4-10,18H2,1-3H3
InChIKeyYSURFMWSWPFVOX-UHFFFAOYSA-N
XLogP3.56
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.38
LogP ≤ 53.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-(3,5-Dimethylpiperidin-1-yl)-2-methylpropan-1-amine
CID 24693214
2-Methyl-2-(3-methylpiperidin-1-yl)propan-1-amine
CID 24697345
1-Methyl-4-(trifluoromethyl)piperidin-3-amine
CID 20763641
2,2-difluoro-N-methyl-N-(piperidin-2-ylmethyl)ethanamine
CID 53873123
N-tert-butyl-2-ethyl-4,4-difluoropiperidin-3-amine
CID 57752961
3-(Fluoromethyl)-1-propan-2-ylpiperidin-3-amine
CID 57886905
3-(Difluoromethyl)-1-propan-2-ylpiperidin-3-amine
CID 57886940
(3S,5R)-1-methyl-5-(trifluoromethyl)piperidin-3-amine
CID 58177225
(S)-2-isobutyl-1-(2,2,2-trifluoroethyl)piperazine
CID 58612005
N-[2-(4,4-difluoropiperidin-1-yl)ethyl]-2-methylpropan-2-amine
CID 59472438
1-[1-(2,2,2-Trifluoroethyl)piperidin-4-yl]ethanamine
CID 63597114
2-Propan-2-yl-1-(2,2,2-trifluoroethyl)piperazine
CID 64833927

Frequently Asked Questions

What is the IUPAC name of 2-(2,5-dimethylpiperidin-1-yl)-6,6,6-trifluoro-2-methylhexan-1-amine?
The IUPAC name of 2-(2,5-dimethylpiperidin-1-yl)-6,6,6-trifluoro-2-methylhexan-1-amine (CID 116535365) is 2-(2,5-dimethylpiperidin-1-yl)-6,6,6-trifluoro-2-methylhexan-1-amine.
What is the SMILES notation for 2-(2,5-dimethylpiperidin-1-yl)-6,6,6-trifluoro-2-methylhexan-1-amine?
The canonical SMILES for 2-(2,5-dimethylpiperidin-1-yl)-6,6,6-trifluoro-2-methylhexan-1-amine is CC1CCC(C)N(C(C)(CN)CCCC(F)(F)F)C1.
What is the InChIKey of 2-(2,5-dimethylpiperidin-1-yl)-6,6,6-trifluoro-2-methylhexan-1-amine?
The InChIKey is YSURFMWSWPFVOX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H27F3N2/c1-11-5-6-12(2)19(9-11)13(3,10-18)7-4-8-14(15,16)17/h11-12H,4-10,18H2,1-3H3.
What are the key properties of 2-(2,5-dimethylpiperidin-1-yl)-6,6,6-trifluoro-2-methylhexan-1-amine?
2-(2,5-dimethylpiperidin-1-yl)-6,6,6-trifluoro-2-methylhexan-1-amine has a molecular weight of 280.38 g/mol, XLogP of 3.56, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,5-dimethylpiperidin-1-yl)-6,6,6-trifluoro-2-methylhexan-1-amine is sourced from PubChem (CID 116535365), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).