N-(1,1,1-trifluoro-4,4-dimethylhexan-2-yl)piperidin-4-amine

C13H25F3N2 — CID 70653549

IUPACN-(1,1,1-trifluoro-4,4-dimethylhexan-2-yl)piperidin-4-amine
SMILESCCC(C)(C)CC(NC1CCNCC1)C(F)(F)F
InChIInChI=1S/C13H25F3N2/c1-4-12(2,3)9-11(13(14,15)16)18-10-5-7-17-8-6-10/h10-11,17-18H,4-9H2,1-3H3
InChIKeyFEHUUKBGXLQTQU-UHFFFAOYSA-N
MW266.35 g/mol
LogP3.09
Rot. Bonds5

About N-(1,1,1-trifluoro-4,4-dimethylhexan-2-yl)piperidin-4-amine

N-(1,1,1-trifluoro-4,4-dimethylhexan-2-yl)piperidin-4-amine (PubChem CID 70653549) has the molecular formula C13H25F3N2 and a molecular weight of 266.35 g/mol. Its IUPAC name is N-(1,1,1-trifluoro-4,4-dimethylhexan-2-yl)piperidin-4-amine.

Molecular Properties

Compound NameN-(1,1,1-trifluoro-4,4-dimethylhexan-2-yl)piperidin-4-amine
PubChem CID70653549
Molecular FormulaC13H25F3N2
Molecular Weight266.35 g/mol
Exact Mass266.20
IUPAC NameN-(1,1,1-trifluoro-4,4-dimethylhexan-2-yl)piperidin-4-amine
SMILESCCC(C)(C)CC(NC1CCNCC1)C(F)(F)F
InChIInChI=1S/C13H25F3N2/c1-4-12(2,3)9-11(13(14,15)16)18-10-5-7-17-8-6-10/h10-11,17-18H,4-9H2,1-3H3
InChIKeyFEHUUKBGXLQTQU-UHFFFAOYSA-N
XLogP3.09
TPSA24.06 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.35
LogP ≤ 53.09
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-(1,1,1-trifluoro-4,4-dimethylhexan-2-yl)piperidin-4-amine?
The IUPAC name of N-(1,1,1-trifluoro-4,4-dimethylhexan-2-yl)piperidin-4-amine (CID 70653549) is N-(1,1,1-trifluoro-4,4-dimethylhexan-2-yl)piperidin-4-amine.
What is the SMILES notation for N-(1,1,1-trifluoro-4,4-dimethylhexan-2-yl)piperidin-4-amine?
The canonical SMILES for N-(1,1,1-trifluoro-4,4-dimethylhexan-2-yl)piperidin-4-amine is CCC(C)(C)CC(NC1CCNCC1)C(F)(F)F.
What is the InChIKey of N-(1,1,1-trifluoro-4,4-dimethylhexan-2-yl)piperidin-4-amine?
The InChIKey is FEHUUKBGXLQTQU-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H25F3N2/c1-4-12(2,3)9-11(13(14,15)16)18-10-5-7-17-8-6-10/h10-11,17-18H,4-9H2,1-3H3.
What are the key properties of N-(1,1,1-trifluoro-4,4-dimethylhexan-2-yl)piperidin-4-amine?
N-(1,1,1-trifluoro-4,4-dimethylhexan-2-yl)piperidin-4-amine has a molecular weight of 266.35 g/mol, XLogP of 3.09, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1,1,1-trifluoro-4,4-dimethylhexan-2-yl)piperidin-4-amine is sourced from PubChem (CID 70653549), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).