1-butyl-3-[(4-cyclopentyltriazol-1-yl)methyl]piperidine

C17H30N4 — CID 46991110

IUPAC1-butyl-3-[(4-cyclopentyltriazol-1-yl)methyl]piperidine
SMILESCCCCN1CCCC(Cn2cc(C3CCCC3)nn2)C1
InChIInChI=1S/C17H30N4/c1-2-3-10-20-11-6-7-15(12-20)13-21-14-17(18-19-21)16-8-4-5-9-16/h14-16H,2-13H2,1H3
InChIKeyAHPNKXOAXGGJDG-UHFFFAOYSA-N
MW290.45 g/mol
LogP3.45
Rot. Bonds6

About 1-butyl-3-[(4-cyclopentyltriazol-1-yl)methyl]piperidine

1-butyl-3-[(4-cyclopentyltriazol-1-yl)methyl]piperidine (PubChem CID 46991110) has the molecular formula C17H30N4 and a molecular weight of 290.45 g/mol. Its IUPAC name is 1-butyl-3-[(4-cyclopentyltriazol-1-yl)methyl]piperidine.

Molecular Properties

Compound Name1-butyl-3-[(4-cyclopentyltriazol-1-yl)methyl]piperidine
PubChem CID46991110
Molecular FormulaC17H30N4
Molecular Weight290.45 g/mol
Exact Mass290.25
IUPAC Name1-butyl-3-[(4-cyclopentyltriazol-1-yl)methyl]piperidine
SMILESCCCCN1CCCC(Cn2cc(C3CCCC3)nn2)C1
InChIInChI=1S/C17H30N4/c1-2-3-10-20-11-6-7-15(12-20)13-21-14-17(18-19-21)16-8-4-5-9-16/h14-16H,2-13H2,1H3
InChIKeyAHPNKXOAXGGJDG-UHFFFAOYSA-N
XLogP3.45
TPSA33.95 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.45
LogP ≤ 53.45
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-butyl-3-[(4-cyclopentyltriazol-1-yl)methyl]piperidine?
The IUPAC name of 1-butyl-3-[(4-cyclopentyltriazol-1-yl)methyl]piperidine (CID 46991110) is 1-butyl-3-[(4-cyclopentyltriazol-1-yl)methyl]piperidine.
What is the SMILES notation for 1-butyl-3-[(4-cyclopentyltriazol-1-yl)methyl]piperidine?
The canonical SMILES for 1-butyl-3-[(4-cyclopentyltriazol-1-yl)methyl]piperidine is CCCCN1CCCC(Cn2cc(C3CCCC3)nn2)C1.
What is the InChIKey of 1-butyl-3-[(4-cyclopentyltriazol-1-yl)methyl]piperidine?
The InChIKey is AHPNKXOAXGGJDG-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H30N4/c1-2-3-10-20-11-6-7-15(12-20)13-21-14-17(18-19-21)16-8-4-5-9-16/h14-16H,2-13H2,1H3.
What are the key properties of 1-butyl-3-[(4-cyclopentyltriazol-1-yl)methyl]piperidine?
1-butyl-3-[(4-cyclopentyltriazol-1-yl)methyl]piperidine has a molecular weight of 290.45 g/mol, XLogP of 3.45, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-butyl-3-[(4-cyclopentyltriazol-1-yl)methyl]piperidine is sourced from PubChem (CID 46991110), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).