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

C16H28N4S — CID 56858231

IUPAC4-(4-cyclopentyltriazol-1-yl)-1-(1-methylsulfanylpropan-2-yl)piperidine
SMILESCSCC(C)N1CCC(n2cc(C3CCCC3)nn2)CC1
InChIInChI=1S/C16H28N4S/c1-13(12-21-2)19-9-7-15(8-10-19)20-11-16(17-18-20)14-5-3-4-6-14/h11,13-15H,3-10,12H2,1-2H3
InChIKeyCDLNFJOROGKXMI-UHFFFAOYSA-N
MW308.49 g/mol
LogP3.32
Rot. Bonds5

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

4-(4-cyclopentyltriazol-1-yl)-1-(1-methylsulfanylpropan-2-yl)piperidine (PubChem CID 56858231) has the molecular formula C16H28N4S and a molecular weight of 308.49 g/mol. Its IUPAC name is 4-(4-cyclopentyltriazol-1-yl)-1-(1-methylsulfanylpropan-2-yl)piperidine.

Molecular Properties

Compound Name4-(4-cyclopentyltriazol-1-yl)-1-(1-methylsulfanylpropan-2-yl)piperidine
PubChem CID56858231
Molecular FormulaC16H28N4S
Molecular Weight308.49 g/mol
Exact Mass308.20
IUPAC Name4-(4-cyclopentyltriazol-1-yl)-1-(1-methylsulfanylpropan-2-yl)piperidine
SMILESCSCC(C)N1CCC(n2cc(C3CCCC3)nn2)CC1
InChIInChI=1S/C16H28N4S/c1-13(12-21-2)19-9-7-15(8-10-19)20-11-16(17-18-20)14-5-3-4-6-14/h11,13-15H,3-10,12H2,1-2H3
InChIKeyCDLNFJOROGKXMI-UHFFFAOYSA-N
XLogP3.32
TPSA33.95 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.49
LogP ≤ 53.32
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-(1-methylsulfanylpropan-2-yl)piperidine?
The IUPAC name of 4-(4-cyclopentyltriazol-1-yl)-1-(1-methylsulfanylpropan-2-yl)piperidine (CID 56858231) is 4-(4-cyclopentyltriazol-1-yl)-1-(1-methylsulfanylpropan-2-yl)piperidine.
What is the SMILES notation for 4-(4-cyclopentyltriazol-1-yl)-1-(1-methylsulfanylpropan-2-yl)piperidine?
The canonical SMILES for 4-(4-cyclopentyltriazol-1-yl)-1-(1-methylsulfanylpropan-2-yl)piperidine is CSCC(C)N1CCC(n2cc(C3CCCC3)nn2)CC1.
What is the InChIKey of 4-(4-cyclopentyltriazol-1-yl)-1-(1-methylsulfanylpropan-2-yl)piperidine?
The InChIKey is CDLNFJOROGKXMI-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H28N4S/c1-13(12-21-2)19-9-7-15(8-10-19)20-11-16(17-18-20)14-5-3-4-6-14/h11,13-15H,3-10,12H2,1-2H3.
What are the key properties of 4-(4-cyclopentyltriazol-1-yl)-1-(1-methylsulfanylpropan-2-yl)piperidine?
4-(4-cyclopentyltriazol-1-yl)-1-(1-methylsulfanylpropan-2-yl)piperidine has a molecular weight of 308.49 g/mol, XLogP of 3.32, 5 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-(1-methylsulfanylpropan-2-yl)piperidine is sourced from PubChem (CID 56858231), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).