1,1,1-trifluoro-2-(4-propan-2-ylpiperidin-1-yl)pentan-3-amine

C13H25F3N2 — CID 103505235

IUPAC1,1,1-trifluoro-2-(4-propan-2-ylpiperidin-1-yl)pentan-3-amine
SMILESCCC(N)C(N1CCC(C(C)C)CC1)C(F)(F)F
InChIInChI=1S/C13H25F3N2/c1-4-11(17)12(13(14,15)16)18-7-5-10(6-8-18)9(2)3/h9-12H,4-8,17H2,1-3H3
InChIKeyXZBWTXURPJRDEF-UHFFFAOYSA-N
MW266.35 g/mol
LogP3.02
Rot. Bonds4

About 1,1,1-trifluoro-2-(4-propan-2-ylpiperidin-1-yl)pentan-3-amine

1,1,1-trifluoro-2-(4-propan-2-ylpiperidin-1-yl)pentan-3-amine (PubChem CID 103505235) has the molecular formula C13H25F3N2 and a molecular weight of 266.35 g/mol. Its IUPAC name is 1,1,1-trifluoro-2-(4-propan-2-ylpiperidin-1-yl)pentan-3-amine.

Molecular Properties

Compound Name1,1,1-trifluoro-2-(4-propan-2-ylpiperidin-1-yl)pentan-3-amine
PubChem CID103505235
Molecular FormulaC13H25F3N2
Molecular Weight266.35 g/mol
Exact Mass266.20
IUPAC Name1,1,1-trifluoro-2-(4-propan-2-ylpiperidin-1-yl)pentan-3-amine
SMILESCCC(N)C(N1CCC(C(C)C)CC1)C(F)(F)F
InChIInChI=1S/C13H25F3N2/c1-4-11(17)12(13(14,15)16)18-7-5-10(6-8-18)9(2)3/h9-12H,4-8,17H2,1-3H3
InChIKeyXZBWTXURPJRDEF-UHFFFAOYSA-N
XLogP3.02
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.35
LogP ≤ 53.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-(4,4-dimethylpiperidin-1-yl)-1,1,1-trifluoropentan-3-amine
CID 62935989
2-(4-propan-2-ylpiperidin-1-yl)pentan-3-amine
CID 103495147
[1-(3-amino-1,1,1-trifluoropentan-2-yl)pyrrolidin-3-yl]methanol
CID 112624471
N-[[1-(3-amino-1,1,1-trifluoropentan-2-yl)piperidin-4-yl]methyl]acetamide
CID 102736014
1-(3-amino-1,1,1-trifluoropentan-2-yl)pyrrolidine-3-carboxamide
CID 114081754
1-(4-fluorophenyl)-1-(4-propan-2-ylpiperidin-1-yl)butan-2-amine
CID 103505312
5,5-dimethyl-4-[3-(trifluoromethyl)pyrrolidin-1-yl]hexan-3-amine
CID 114271767
1-[1-(4-amino-2,2-dimethylhexan-3-yl)pyrrolidin-3-yl]ethanol
CID 112624601
1-(2-fluorophenyl)-1-(4-propan-2-ylpiperidin-1-yl)butan-2-amine
CID 103505296
2-(2,3,4,4a,5,6,7,7a-octahydrocyclopenta[b]pyridin-1-yl)-1,1,1-trifluoropentan-3-amine
CID 65319020
8-(3-amino-1,1,1-trifluoropentan-2-yl)-8-azabicyclo[3.2.1]octan-3-ol
CID 63763233
1,4-di(propan-2-yl)piperidine
CID 21303253

Frequently Asked Questions

What is the IUPAC name of 1,1,1-trifluoro-2-(4-propan-2-ylpiperidin-1-yl)pentan-3-amine?
The IUPAC name of 1,1,1-trifluoro-2-(4-propan-2-ylpiperidin-1-yl)pentan-3-amine (CID 103505235) is 1,1,1-trifluoro-2-(4-propan-2-ylpiperidin-1-yl)pentan-3-amine.
What is the SMILES notation for 1,1,1-trifluoro-2-(4-propan-2-ylpiperidin-1-yl)pentan-3-amine?
The canonical SMILES for 1,1,1-trifluoro-2-(4-propan-2-ylpiperidin-1-yl)pentan-3-amine is CCC(N)C(N1CCC(C(C)C)CC1)C(F)(F)F.
What is the InChIKey of 1,1,1-trifluoro-2-(4-propan-2-ylpiperidin-1-yl)pentan-3-amine?
The InChIKey is XZBWTXURPJRDEF-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H25F3N2/c1-4-11(17)12(13(14,15)16)18-7-5-10(6-8-18)9(2)3/h9-12H,4-8,17H2,1-3H3.
What are the key properties of 1,1,1-trifluoro-2-(4-propan-2-ylpiperidin-1-yl)pentan-3-amine?
1,1,1-trifluoro-2-(4-propan-2-ylpiperidin-1-yl)pentan-3-amine has a molecular weight of 266.35 g/mol, XLogP of 3.02, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1,1,1-trifluoro-2-(4-propan-2-ylpiperidin-1-yl)pentan-3-amine is sourced from PubChem (CID 103505235), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).