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

C12H23F3N2 — CID 70646110

IUPACN-(1,1,1-trifluoro-4,4-dimethylpentan-2-yl)piperidin-4-amine
SMILESCC(C)(C)CC(NC1CCNCC1)C(F)(F)F
InChIInChI=1S/C12H23F3N2/c1-11(2,3)8-10(12(13,14)15)17-9-4-6-16-7-5-9/h9-10,16-17H,4-8H2,1-3H3
InChIKeyQJLUHBMKNBDOPM-UHFFFAOYSA-N
MW252.32 g/mol
LogP2.70
Rot. Bonds3

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

N-(1,1,1-trifluoro-4,4-dimethylpentan-2-yl)piperidin-4-amine (PubChem CID 70646110) has the molecular formula C12H23F3N2 and a molecular weight of 252.32 g/mol. Its IUPAC name is N-(1,1,1-trifluoro-4,4-dimethylpentan-2-yl)piperidin-4-amine.

Molecular Properties

Compound NameN-(1,1,1-trifluoro-4,4-dimethylpentan-2-yl)piperidin-4-amine
PubChem CID70646110
Molecular FormulaC12H23F3N2
Molecular Weight252.32 g/mol
Exact Mass252.18
IUPAC NameN-(1,1,1-trifluoro-4,4-dimethylpentan-2-yl)piperidin-4-amine
SMILESCC(C)(C)CC(NC1CCNCC1)C(F)(F)F
InChIInChI=1S/C12H23F3N2/c1-11(2,3)8-10(12(13,14)15)17-9-4-6-16-7-5-9/h9-10,16-17H,4-8H2,1-3H3
InChIKeyQJLUHBMKNBDOPM-UHFFFAOYSA-N
XLogP2.70
TPSA24.06 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.32
LogP ≤ 52.70
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-dimethylpentan-2-yl)piperidin-4-amine?
The IUPAC name of N-(1,1,1-trifluoro-4,4-dimethylpentan-2-yl)piperidin-4-amine (CID 70646110) is N-(1,1,1-trifluoro-4,4-dimethylpentan-2-yl)piperidin-4-amine.
What is the SMILES notation for N-(1,1,1-trifluoro-4,4-dimethylpentan-2-yl)piperidin-4-amine?
The canonical SMILES for N-(1,1,1-trifluoro-4,4-dimethylpentan-2-yl)piperidin-4-amine is CC(C)(C)CC(NC1CCNCC1)C(F)(F)F.
What is the InChIKey of N-(1,1,1-trifluoro-4,4-dimethylpentan-2-yl)piperidin-4-amine?
The InChIKey is QJLUHBMKNBDOPM-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H23F3N2/c1-11(2,3)8-10(12(13,14)15)17-9-4-6-16-7-5-9/h9-10,16-17H,4-8H2,1-3H3.
What are the key properties of N-(1,1,1-trifluoro-4,4-dimethylpentan-2-yl)piperidin-4-amine?
N-(1,1,1-trifluoro-4,4-dimethylpentan-2-yl)piperidin-4-amine has a molecular weight of 252.32 g/mol, XLogP of 2.70, 3 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-dimethylpentan-2-yl)piperidin-4-amine is sourced from PubChem (CID 70646110), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).