1-(2,3-dimethylpent-1-en-3-yl)-N-(1,1,1-trifluoropropan-2-yl)piperidin-4-amine

C15H27F3N2 — CID 134594767

IUPAC1-(2,3-dimethylpent-1-en-3-yl)-N-(1,1,1-trifluoropropan-2-yl)piperidin-4-amine
SMILESC=C(C)C(C)(CC)N1CCC(NC(C)C(F)(F)F)CC1
InChIInChI=1S/C15H27F3N2/c1-6-14(5,11(2)3)20-9-7-13(8-10-20)19-12(4)15(16,17)18/h12-13,19H,2,6-10H2,1,3-5H3
InChIKeyTTYYEINVFBQXNW-UHFFFAOYSA-N
MW292.39 g/mol
LogP3.74
Rot. Bonds5

About 1-(2,3-dimethylpent-1-en-3-yl)-N-(1,1,1-trifluoropropan-2-yl)piperidin-4-amine

1-(2,3-dimethylpent-1-en-3-yl)-N-(1,1,1-trifluoropropan-2-yl)piperidin-4-amine (PubChem CID 134594767) has the molecular formula C15H27F3N2 and a molecular weight of 292.39 g/mol. Its IUPAC name is 1-(2,3-dimethylpent-1-en-3-yl)-N-(1,1,1-trifluoropropan-2-yl)piperidin-4-amine.

Molecular Properties

Compound Name1-(2,3-dimethylpent-1-en-3-yl)-N-(1,1,1-trifluoropropan-2-yl)piperidin-4-amine
PubChem CID134594767
Molecular FormulaC15H27F3N2
Molecular Weight292.39 g/mol
Exact Mass292.21
IUPAC Name1-(2,3-dimethylpent-1-en-3-yl)-N-(1,1,1-trifluoropropan-2-yl)piperidin-4-amine
SMILESC=C(C)C(C)(CC)N1CCC(NC(C)C(F)(F)F)CC1
InChIInChI=1S/C15H27F3N2/c1-6-14(5,11(2)3)20-9-7-13(8-10-20)19-12(4)15(16,17)18/h12-13,19H,2,6-10H2,1,3-5H3
InChIKeyTTYYEINVFBQXNW-UHFFFAOYSA-N
XLogP3.74
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.39
LogP ≤ 53.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-(2,3-dimethylpent-1-en-3-yl)-N-(1,1,1-trifluoropropan-2-yl)piperidin-4-amine?
The IUPAC name of 1-(2,3-dimethylpent-1-en-3-yl)-N-(1,1,1-trifluoropropan-2-yl)piperidin-4-amine (CID 134594767) is 1-(2,3-dimethylpent-1-en-3-yl)-N-(1,1,1-trifluoropropan-2-yl)piperidin-4-amine.
What is the SMILES notation for 1-(2,3-dimethylpent-1-en-3-yl)-N-(1,1,1-trifluoropropan-2-yl)piperidin-4-amine?
The canonical SMILES for 1-(2,3-dimethylpent-1-en-3-yl)-N-(1,1,1-trifluoropropan-2-yl)piperidin-4-amine is C=C(C)C(C)(CC)N1CCC(NC(C)C(F)(F)F)CC1.
What is the InChIKey of 1-(2,3-dimethylpent-1-en-3-yl)-N-(1,1,1-trifluoropropan-2-yl)piperidin-4-amine?
The InChIKey is TTYYEINVFBQXNW-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H27F3N2/c1-6-14(5,11(2)3)20-9-7-13(8-10-20)19-12(4)15(16,17)18/h12-13,19H,2,6-10H2,1,3-5H3.
What are the key properties of 1-(2,3-dimethylpent-1-en-3-yl)-N-(1,1,1-trifluoropropan-2-yl)piperidin-4-amine?
1-(2,3-dimethylpent-1-en-3-yl)-N-(1,1,1-trifluoropropan-2-yl)piperidin-4-amine has a molecular weight of 292.39 g/mol, XLogP of 3.74, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,3-dimethylpent-1-en-3-yl)-N-(1,1,1-trifluoropropan-2-yl)piperidin-4-amine is sourced from PubChem (CID 134594767), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).