4-(4-cyclopentyltriazol-1-yl)-1-(2-methylprop-2-enyl)piperidine

C16H26N4 — CID 31075005

IUPAC4-(4-cyclopentyltriazol-1-yl)-1-(2-methylprop-2-enyl)piperidine
SMILESC=C(C)CN1CCC(n2cc(C3CCCC3)nn2)CC1
InChIInChI=1S/C16H26N4/c1-13(2)11-19-9-7-15(8-10-19)20-12-16(17-18-20)14-5-3-4-6-14/h12,14-15H,1,3-11H2,2H3
InChIKeyYXDFHIJXQLGEQZ-UHFFFAOYSA-N
MW274.41 g/mol
LogP3.15
Rot. Bonds4

About 4-(4-cyclopentyltriazol-1-yl)-1-(2-methylprop-2-enyl)piperidine

4-(4-cyclopentyltriazol-1-yl)-1-(2-methylprop-2-enyl)piperidine (PubChem CID 31075005) has the molecular formula C16H26N4 and a molecular weight of 274.41 g/mol. Its IUPAC name is 4-(4-cyclopentyltriazol-1-yl)-1-(2-methylprop-2-enyl)piperidine.

Molecular Properties

Compound Name4-(4-cyclopentyltriazol-1-yl)-1-(2-methylprop-2-enyl)piperidine
PubChem CID31075005
Molecular FormulaC16H26N4
Molecular Weight274.41 g/mol
Exact Mass274.22
IUPAC Name4-(4-cyclopentyltriazol-1-yl)-1-(2-methylprop-2-enyl)piperidine
SMILESC=C(C)CN1CCC(n2cc(C3CCCC3)nn2)CC1
InChIInChI=1S/C16H26N4/c1-13(2)11-19-9-7-15(8-10-19)20-12-16(17-18-20)14-5-3-4-6-14/h12,14-15H,1,3-11H2,2H3
InChIKeyYXDFHIJXQLGEQZ-UHFFFAOYSA-N
XLogP3.15
TPSA33.95 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.41
LogP ≤ 53.15
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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 4-(4-cyclopentyltriazol-1-yl)-1-(2-methylprop-2-enyl)piperidine?
The IUPAC name of 4-(4-cyclopentyltriazol-1-yl)-1-(2-methylprop-2-enyl)piperidine (CID 31075005) is 4-(4-cyclopentyltriazol-1-yl)-1-(2-methylprop-2-enyl)piperidine.
What is the SMILES notation for 4-(4-cyclopentyltriazol-1-yl)-1-(2-methylprop-2-enyl)piperidine?
The canonical SMILES for 4-(4-cyclopentyltriazol-1-yl)-1-(2-methylprop-2-enyl)piperidine is C=C(C)CN1CCC(n2cc(C3CCCC3)nn2)CC1.
What is the InChIKey of 4-(4-cyclopentyltriazol-1-yl)-1-(2-methylprop-2-enyl)piperidine?
The InChIKey is YXDFHIJXQLGEQZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26N4/c1-13(2)11-19-9-7-15(8-10-19)20-12-16(17-18-20)14-5-3-4-6-14/h12,14-15H,1,3-11H2,2H3.
What are the key properties of 4-(4-cyclopentyltriazol-1-yl)-1-(2-methylprop-2-enyl)piperidine?
4-(4-cyclopentyltriazol-1-yl)-1-(2-methylprop-2-enyl)piperidine has a molecular weight of 274.41 g/mol, XLogP of 3.15, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-cyclopentyltriazol-1-yl)-1-(2-methylprop-2-enyl)piperidine is sourced from PubChem (CID 31075005), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).