1-propan-2-yl-3-(trifluoromethyl)piperidin-4-amine

C9H17F3N2 — CID 162754502

IUPAC1-propan-2-yl-3-(trifluoromethyl)piperidin-4-amine
SMILESCC(C)N1CCC(N)C(C(F)(F)F)C1
InChIInChI=1S/C9H17F3N2/c1-6(2)14-4-3-8(13)7(5-14)9(10,11)12/h6-8H,3-5,13H2,1-2H3
InChIKeyQVVXFBYOAILOJI-UHFFFAOYSA-N
MW210.24 g/mol
LogP1.61
Rot. Bonds1

About 1-propan-2-yl-3-(trifluoromethyl)piperidin-4-amine

1-propan-2-yl-3-(trifluoromethyl)piperidin-4-amine (PubChem CID 162754502) has the molecular formula C9H17F3N2 and a molecular weight of 210.24 g/mol. Its IUPAC name is 1-propan-2-yl-3-(trifluoromethyl)piperidin-4-amine.

Molecular Properties

Compound Name1-propan-2-yl-3-(trifluoromethyl)piperidin-4-amine
PubChem CID162754502
Molecular FormulaC9H17F3N2
Molecular Weight210.24 g/mol
Exact Mass210.13
IUPAC Name1-propan-2-yl-3-(trifluoromethyl)piperidin-4-amine
SMILESCC(C)N1CCC(N)C(C(F)(F)F)C1
InChIInChI=1S/C9H17F3N2/c1-6(2)14-4-3-8(13)7(5-14)9(10,11)12/h6-8H,3-5,13H2,1-2H3
InChIKeyQVVXFBYOAILOJI-UHFFFAOYSA-N
XLogP1.61
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.24
LogP ≤ 51.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-propan-2-yl-3-(trifluoromethyl)piperidin-4-amine?
The IUPAC name of 1-propan-2-yl-3-(trifluoromethyl)piperidin-4-amine (CID 162754502) is 1-propan-2-yl-3-(trifluoromethyl)piperidin-4-amine.
What is the SMILES notation for 1-propan-2-yl-3-(trifluoromethyl)piperidin-4-amine?
The canonical SMILES for 1-propan-2-yl-3-(trifluoromethyl)piperidin-4-amine is CC(C)N1CCC(N)C(C(F)(F)F)C1.
What is the InChIKey of 1-propan-2-yl-3-(trifluoromethyl)piperidin-4-amine?
The InChIKey is QVVXFBYOAILOJI-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H17F3N2/c1-6(2)14-4-3-8(13)7(5-14)9(10,11)12/h6-8H,3-5,13H2,1-2H3.
What are the key properties of 1-propan-2-yl-3-(trifluoromethyl)piperidin-4-amine?
1-propan-2-yl-3-(trifluoromethyl)piperidin-4-amine has a molecular weight of 210.24 g/mol, XLogP of 1.61, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-propan-2-yl-3-(trifluoromethyl)piperidin-4-amine is sourced from PubChem (CID 162754502), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).