4-[4-(4-chlorophenyl)-5-(methoxymethyl)-1,2,4-triazol-3-yl]piperidine

C15H19ClN4O — CID 59347473

IUPAC4-[4-(4-chlorophenyl)-5-(methoxymethyl)-1,2,4-triazol-3-yl]piperidine
SMILESCOCc1nnc(C2CCNCC2)n1-c1ccc(Cl)cc1
InChIInChI=1S/C15H19ClN4O/c1-21-10-14-18-19-15(11-6-8-17-9-7-11)20(14)13-4-2-12(16)3-5-13/h2-5,11,17H,6-10H2,1H3
InChIKeyPSEVCJLWJXUMPM-UHFFFAOYSA-N
MW306.80 g/mol
LogP2.53
Rot. Bonds4

About 4-[4-(4-chlorophenyl)-5-(methoxymethyl)-1,2,4-triazol-3-yl]piperidine

4-[4-(4-chlorophenyl)-5-(methoxymethyl)-1,2,4-triazol-3-yl]piperidine (PubChem CID 59347473) has the molecular formula C15H19ClN4O and a molecular weight of 306.80 g/mol. Its IUPAC name is 4-[4-(4-chlorophenyl)-5-(methoxymethyl)-1,2,4-triazol-3-yl]piperidine.

Molecular Properties

Compound Name4-[4-(4-chlorophenyl)-5-(methoxymethyl)-1,2,4-triazol-3-yl]piperidine
PubChem CID59347473
Molecular FormulaC15H19ClN4O
Molecular Weight306.80 g/mol
Exact Mass306.12
IUPAC Name4-[4-(4-chlorophenyl)-5-(methoxymethyl)-1,2,4-triazol-3-yl]piperidine
SMILESCOCc1nnc(C2CCNCC2)n1-c1ccc(Cl)cc1
InChIInChI=1S/C15H19ClN4O/c1-21-10-14-18-19-15(11-6-8-17-9-7-11)20(14)13-4-2-12(16)3-5-13/h2-5,11,17H,6-10H2,1H3
InChIKeyPSEVCJLWJXUMPM-UHFFFAOYSA-N
XLogP2.53
TPSA51.97 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.80
LogP ≤ 52.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-[4-(4-chlorophenyl)-5-(methoxymethyl)-1,2,4-triazol-3-yl]piperidine?
The IUPAC name of 4-[4-(4-chlorophenyl)-5-(methoxymethyl)-1,2,4-triazol-3-yl]piperidine (CID 59347473) is 4-[4-(4-chlorophenyl)-5-(methoxymethyl)-1,2,4-triazol-3-yl]piperidine.
What is the SMILES notation for 4-[4-(4-chlorophenyl)-5-(methoxymethyl)-1,2,4-triazol-3-yl]piperidine?
The canonical SMILES for 4-[4-(4-chlorophenyl)-5-(methoxymethyl)-1,2,4-triazol-3-yl]piperidine is COCc1nnc(C2CCNCC2)n1-c1ccc(Cl)cc1.
What is the InChIKey of 4-[4-(4-chlorophenyl)-5-(methoxymethyl)-1,2,4-triazol-3-yl]piperidine?
The InChIKey is PSEVCJLWJXUMPM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19ClN4O/c1-21-10-14-18-19-15(11-6-8-17-9-7-11)20(14)13-4-2-12(16)3-5-13/h2-5,11,17H,6-10H2,1H3.
What are the key properties of 4-[4-(4-chlorophenyl)-5-(methoxymethyl)-1,2,4-triazol-3-yl]piperidine?
4-[4-(4-chlorophenyl)-5-(methoxymethyl)-1,2,4-triazol-3-yl]piperidine has a molecular weight of 306.80 g/mol, XLogP of 2.53, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-(4-chlorophenyl)-5-(methoxymethyl)-1,2,4-triazol-3-yl]piperidine is sourced from PubChem (CID 59347473), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).