4-(4-cyclopentyltriazol-1-yl)-1-(2-methylbutyl)piperidine

C17H30N4 — CID 46996926

IUPAC4-(4-cyclopentyltriazol-1-yl)-1-(2-methylbutyl)piperidine
SMILESCCC(C)CN1CCC(n2cc(C3CCCC3)nn2)CC1
InChIInChI=1S/C17H30N4/c1-3-14(2)12-20-10-8-16(9-11-20)21-13-17(18-19-21)15-6-4-5-7-15/h13-16H,3-12H2,1-2H3
InChIKeyCYJHGFCNUZLSOO-UHFFFAOYSA-N
MW290.45 g/mol
LogP3.62
Rot. Bonds5

About 4-(4-cyclopentyltriazol-1-yl)-1-(2-methylbutyl)piperidine

4-(4-cyclopentyltriazol-1-yl)-1-(2-methylbutyl)piperidine (PubChem CID 46996926) has the molecular formula C17H30N4 and a molecular weight of 290.45 g/mol. Its IUPAC name is 4-(4-cyclopentyltriazol-1-yl)-1-(2-methylbutyl)piperidine.

Molecular Properties

Compound Name4-(4-cyclopentyltriazol-1-yl)-1-(2-methylbutyl)piperidine
PubChem CID46996926
Molecular FormulaC17H30N4
Molecular Weight290.45 g/mol
Exact Mass290.25
IUPAC Name4-(4-cyclopentyltriazol-1-yl)-1-(2-methylbutyl)piperidine
SMILESCCC(C)CN1CCC(n2cc(C3CCCC3)nn2)CC1
InChIInChI=1S/C17H30N4/c1-3-14(2)12-20-10-8-16(9-11-20)21-13-17(18-19-21)15-6-4-5-7-15/h13-16H,3-12H2,1-2H3
InChIKeyCYJHGFCNUZLSOO-UHFFFAOYSA-N
XLogP3.62
TPSA33.95 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.45
LogP ≤ 53.62
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-(4-cyclopentyltriazol-1-yl)-1-(2-methylbutyl)piperidine?
The IUPAC name of 4-(4-cyclopentyltriazol-1-yl)-1-(2-methylbutyl)piperidine (CID 46996926) is 4-(4-cyclopentyltriazol-1-yl)-1-(2-methylbutyl)piperidine.
What is the SMILES notation for 4-(4-cyclopentyltriazol-1-yl)-1-(2-methylbutyl)piperidine?
The canonical SMILES for 4-(4-cyclopentyltriazol-1-yl)-1-(2-methylbutyl)piperidine is CCC(C)CN1CCC(n2cc(C3CCCC3)nn2)CC1.
What is the InChIKey of 4-(4-cyclopentyltriazol-1-yl)-1-(2-methylbutyl)piperidine?
The InChIKey is CYJHGFCNUZLSOO-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H30N4/c1-3-14(2)12-20-10-8-16(9-11-20)21-13-17(18-19-21)15-6-4-5-7-15/h13-16H,3-12H2,1-2H3.
What are the key properties of 4-(4-cyclopentyltriazol-1-yl)-1-(2-methylbutyl)piperidine?
4-(4-cyclopentyltriazol-1-yl)-1-(2-methylbutyl)piperidine has a molecular weight of 290.45 g/mol, XLogP of 3.62, 5 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-methylbutyl)piperidine is sourced from PubChem (CID 46996926), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).