4-(4-cyclopentyltriazol-1-yl)-1-(3-methylsulfanylbutyl)piperidine

C17H30N4S — CID 47000425

IUPAC4-(4-cyclopentyltriazol-1-yl)-1-(3-methylsulfanylbutyl)piperidine
SMILESCSC(C)CCN1CCC(n2cc(C3CCCC3)nn2)CC1
InChIInChI=1S/C17H30N4S/c1-14(22-2)7-10-20-11-8-16(9-12-20)21-13-17(18-19-21)15-5-3-4-6-15/h13-16H,3-12H2,1-2H3
InChIKeyVZOMXQQDGILGTR-UHFFFAOYSA-N
MW322.52 g/mol
LogP3.71
Rot. Bonds6

About 4-(4-cyclopentyltriazol-1-yl)-1-(3-methylsulfanylbutyl)piperidine

4-(4-cyclopentyltriazol-1-yl)-1-(3-methylsulfanylbutyl)piperidine (PubChem CID 47000425) has the molecular formula C17H30N4S and a molecular weight of 322.52 g/mol. Its IUPAC name is 4-(4-cyclopentyltriazol-1-yl)-1-(3-methylsulfanylbutyl)piperidine.

Molecular Properties

Compound Name4-(4-cyclopentyltriazol-1-yl)-1-(3-methylsulfanylbutyl)piperidine
PubChem CID47000425
Molecular FormulaC17H30N4S
Molecular Weight322.52 g/mol
Exact Mass322.22
IUPAC Name4-(4-cyclopentyltriazol-1-yl)-1-(3-methylsulfanylbutyl)piperidine
SMILESCSC(C)CCN1CCC(n2cc(C3CCCC3)nn2)CC1
InChIInChI=1S/C17H30N4S/c1-14(22-2)7-10-20-11-8-16(9-12-20)21-13-17(18-19-21)15-5-3-4-6-15/h13-16H,3-12H2,1-2H3
InChIKeyVZOMXQQDGILGTR-UHFFFAOYSA-N
XLogP3.71
TPSA33.95 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.52
LogP ≤ 53.71
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-(4-cyclopentyltriazol-1-yl)-1-(3-methylsulfanylbutyl)piperidine?
The IUPAC name of 4-(4-cyclopentyltriazol-1-yl)-1-(3-methylsulfanylbutyl)piperidine (CID 47000425) is 4-(4-cyclopentyltriazol-1-yl)-1-(3-methylsulfanylbutyl)piperidine.
What is the SMILES notation for 4-(4-cyclopentyltriazol-1-yl)-1-(3-methylsulfanylbutyl)piperidine?
The canonical SMILES for 4-(4-cyclopentyltriazol-1-yl)-1-(3-methylsulfanylbutyl)piperidine is CSC(C)CCN1CCC(n2cc(C3CCCC3)nn2)CC1.
What is the InChIKey of 4-(4-cyclopentyltriazol-1-yl)-1-(3-methylsulfanylbutyl)piperidine?
The InChIKey is VZOMXQQDGILGTR-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H30N4S/c1-14(22-2)7-10-20-11-8-16(9-12-20)21-13-17(18-19-21)15-5-3-4-6-15/h13-16H,3-12H2,1-2H3.
What are the key properties of 4-(4-cyclopentyltriazol-1-yl)-1-(3-methylsulfanylbutyl)piperidine?
4-(4-cyclopentyltriazol-1-yl)-1-(3-methylsulfanylbutyl)piperidine has a molecular weight of 322.52 g/mol, XLogP of 3.71, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-cyclopentyltriazol-1-yl)-1-(3-methylsulfanylbutyl)piperidine is sourced from PubChem (CID 47000425), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).