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

C18H32N4S — CID 46988796

IUPAC4-(4-cyclohexyltriazol-1-yl)-1-(3-methylsulfanylbutyl)piperidine
SMILESCSC(C)CCN1CCC(n2cc(C3CCCCC3)nn2)CC1
InChIInChI=1S/C18H32N4S/c1-15(23-2)8-11-21-12-9-17(10-13-21)22-14-18(19-20-22)16-6-4-3-5-7-16/h14-17H,3-13H2,1-2H3
InChIKeyRMYUKTFHYDKMPG-UHFFFAOYSA-N
MW336.55 g/mol
LogP4.10
Rot. Bonds6

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

4-(4-cyclohexyltriazol-1-yl)-1-(3-methylsulfanylbutyl)piperidine (PubChem CID 46988796) has the molecular formula C18H32N4S and a molecular weight of 336.55 g/mol. Its IUPAC name is 4-(4-cyclohexyltriazol-1-yl)-1-(3-methylsulfanylbutyl)piperidine.

Molecular Properties

Compound Name4-(4-cyclohexyltriazol-1-yl)-1-(3-methylsulfanylbutyl)piperidine
PubChem CID46988796
Molecular FormulaC18H32N4S
Molecular Weight336.55 g/mol
Exact Mass336.23
IUPAC Name4-(4-cyclohexyltriazol-1-yl)-1-(3-methylsulfanylbutyl)piperidine
SMILESCSC(C)CCN1CCC(n2cc(C3CCCCC3)nn2)CC1
InChIInChI=1S/C18H32N4S/c1-15(23-2)8-11-21-12-9-17(10-13-21)22-14-18(19-20-22)16-6-4-3-5-7-16/h14-17H,3-13H2,1-2H3
InChIKeyRMYUKTFHYDKMPG-UHFFFAOYSA-N
XLogP4.10
TPSA33.95 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.55
LogP ≤ 54.10
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-(4-cyclohexyltriazol-1-yl)-1-(3-methylsulfanylbutyl)piperidine?
The IUPAC name of 4-(4-cyclohexyltriazol-1-yl)-1-(3-methylsulfanylbutyl)piperidine (CID 46988796) is 4-(4-cyclohexyltriazol-1-yl)-1-(3-methylsulfanylbutyl)piperidine.
What is the SMILES notation for 4-(4-cyclohexyltriazol-1-yl)-1-(3-methylsulfanylbutyl)piperidine?
The canonical SMILES for 4-(4-cyclohexyltriazol-1-yl)-1-(3-methylsulfanylbutyl)piperidine is CSC(C)CCN1CCC(n2cc(C3CCCCC3)nn2)CC1.
What is the InChIKey of 4-(4-cyclohexyltriazol-1-yl)-1-(3-methylsulfanylbutyl)piperidine?
The InChIKey is RMYUKTFHYDKMPG-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H32N4S/c1-15(23-2)8-11-21-12-9-17(10-13-21)22-14-18(19-20-22)16-6-4-3-5-7-16/h14-17H,3-13H2,1-2H3.
What are the key properties of 4-(4-cyclohexyltriazol-1-yl)-1-(3-methylsulfanylbutyl)piperidine?
4-(4-cyclohexyltriazol-1-yl)-1-(3-methylsulfanylbutyl)piperidine has a molecular weight of 336.55 g/mol, XLogP of 4.10, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-cyclohexyltriazol-1-yl)-1-(3-methylsulfanylbutyl)piperidine is sourced from PubChem (CID 46988796), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).