4-(4-chlorophenyl)sulfanyl-1-[(3-methyltriazol-4-yl)methyl]piperidine

C15H19ClN4S — CID 75471001

IUPAC4-(4-chlorophenyl)sulfanyl-1-[(3-methyltriazol-4-yl)methyl]piperidine
SMILESCn1nncc1CN1CCC(Sc2ccc(Cl)cc2)CC1
InChIInChI=1S/C15H19ClN4S/c1-19-13(10-17-18-19)11-20-8-6-15(7-9-20)21-14-4-2-12(16)3-5-14/h2-5,10,15H,6-9,11H2,1H3
InChIKeyOHSYEEDDXXSBHX-UHFFFAOYSA-N
MW322.87 g/mol
LogP3.23
Rot. Bonds4

About 4-(4-chlorophenyl)sulfanyl-1-[(3-methyltriazol-4-yl)methyl]piperidine

4-(4-chlorophenyl)sulfanyl-1-[(3-methyltriazol-4-yl)methyl]piperidine (PubChem CID 75471001) has the molecular formula C15H19ClN4S and a molecular weight of 322.87 g/mol. Its IUPAC name is 4-(4-chlorophenyl)sulfanyl-1-[(3-methyltriazol-4-yl)methyl]piperidine.

Molecular Properties

Compound Name4-(4-chlorophenyl)sulfanyl-1-[(3-methyltriazol-4-yl)methyl]piperidine
PubChem CID75471001
Molecular FormulaC15H19ClN4S
Molecular Weight322.87 g/mol
Exact Mass322.10
IUPAC Name4-(4-chlorophenyl)sulfanyl-1-[(3-methyltriazol-4-yl)methyl]piperidine
SMILESCn1nncc1CN1CCC(Sc2ccc(Cl)cc2)CC1
InChIInChI=1S/C15H19ClN4S/c1-19-13(10-17-18-19)11-20-8-6-15(7-9-20)21-14-4-2-12(16)3-5-14/h2-5,10,15H,6-9,11H2,1H3
InChIKeyOHSYEEDDXXSBHX-UHFFFAOYSA-N
XLogP3.23
TPSA33.95 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.87
LogP ≤ 53.23
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-(4-chlorophenyl)sulfanyl-1-[(3-methyltriazol-4-yl)methyl]piperidine?
The IUPAC name of 4-(4-chlorophenyl)sulfanyl-1-[(3-methyltriazol-4-yl)methyl]piperidine (CID 75471001) is 4-(4-chlorophenyl)sulfanyl-1-[(3-methyltriazol-4-yl)methyl]piperidine.
What is the SMILES notation for 4-(4-chlorophenyl)sulfanyl-1-[(3-methyltriazol-4-yl)methyl]piperidine?
The canonical SMILES for 4-(4-chlorophenyl)sulfanyl-1-[(3-methyltriazol-4-yl)methyl]piperidine is Cn1nncc1CN1CCC(Sc2ccc(Cl)cc2)CC1.
What is the InChIKey of 4-(4-chlorophenyl)sulfanyl-1-[(3-methyltriazol-4-yl)methyl]piperidine?
The InChIKey is OHSYEEDDXXSBHX-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19ClN4S/c1-19-13(10-17-18-19)11-20-8-6-15(7-9-20)21-14-4-2-12(16)3-5-14/h2-5,10,15H,6-9,11H2,1H3.
What are the key properties of 4-(4-chlorophenyl)sulfanyl-1-[(3-methyltriazol-4-yl)methyl]piperidine?
4-(4-chlorophenyl)sulfanyl-1-[(3-methyltriazol-4-yl)methyl]piperidine has a molecular weight of 322.87 g/mol, XLogP of 3.23, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-chlorophenyl)sulfanyl-1-[(3-methyltriazol-4-yl)methyl]piperidine is sourced from PubChem (CID 75471001), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).