1-[4-(4-chlorophenyl)-5-methyl-1,2,4-triazol-3-yl]-4-methylpiperidine

C15H19ClN4 — CID 141117275

IUPAC1-[4-(4-chlorophenyl)-5-methyl-1,2,4-triazol-3-yl]-4-methylpiperidine
SMILESCc1nnc(N2CCC(C)CC2)n1-c1ccc(Cl)cc1
InChIInChI=1S/C15H19ClN4/c1-11-7-9-19(10-8-11)15-18-17-12(2)20(15)14-5-3-13(16)4-6-14/h3-6,11H,7-10H2,1-2H3
InChIKeyCRPHANBAQYWGFL-UHFFFAOYSA-N
MW290.80 g/mol
LogP3.47
Rot. Bonds2

About 1-[4-(4-chlorophenyl)-5-methyl-1,2,4-triazol-3-yl]-4-methylpiperidine

1-[4-(4-chlorophenyl)-5-methyl-1,2,4-triazol-3-yl]-4-methylpiperidine (PubChem CID 141117275) has the molecular formula C15H19ClN4 and a molecular weight of 290.80 g/mol. Its IUPAC name is 1-[4-(4-chlorophenyl)-5-methyl-1,2,4-triazol-3-yl]-4-methylpiperidine.

Molecular Properties

Compound Name1-[4-(4-chlorophenyl)-5-methyl-1,2,4-triazol-3-yl]-4-methylpiperidine
PubChem CID141117275
Molecular FormulaC15H19ClN4
Molecular Weight290.80 g/mol
Exact Mass290.13
IUPAC Name1-[4-(4-chlorophenyl)-5-methyl-1,2,4-triazol-3-yl]-4-methylpiperidine
SMILESCc1nnc(N2CCC(C)CC2)n1-c1ccc(Cl)cc1
InChIInChI=1S/C15H19ClN4/c1-11-7-9-19(10-8-11)15-18-17-12(2)20(15)14-5-3-13(16)4-6-14/h3-6,11H,7-10H2,1-2H3
InChIKeyCRPHANBAQYWGFL-UHFFFAOYSA-N
XLogP3.47
TPSA33.95 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.80
LogP ≤ 53.47
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

N-[[1-[4-(4-chlorophenyl)-5-methyl-1,2,4-triazol-3-yl]piperidin-4-yl]methyl]pyrimidin-2-amine
CID 91135311
3-[1-[4-(4-chlorophenyl)-5-methyl-1,2,4-triazol-3-yl]piperidin-4-yl]-[1,3]oxazolo[4,5-b]pyridin-2-one
CID 11965397
3-(4-chlorophenyl)-5-[[4-cyclopropyl-5-(4-methylpiperidin-1-yl)-1,2,4-triazol-3-yl]sulfanylmethyl]-1,2,4-oxadiazole
CID 16586643
1-(3,5-dichlorophenyl)-4-methylpiperidine
CID 157277314
1-(4-chlorophenyl)-4-(4-methylcyclohexyl)piperazine
CID 23856792
3-[4-[4-(4-chlorophenyl)-5-methyl-1,2,4-triazol-3-yl]piperidin-1-yl]-[1,2]oxazolo[4,5-b]pyridine
CID 11965638
N-(4-chlorophenyl)-2-[[4-cyclopropyl-5-(4-methylpiperidin-1-yl)-1,2,4-triazol-3-yl]sulfanyl]acetamide
CID 16586463
(3S)-1-(4-chlorophenyl)-3-fluoropyrrolidine
CID 166093392
1-(4-chlorophenyl)-3-(4-methylpiperidin-1-yl)pyrazolo[5,4-c]pyridine
CID 140654566
3-(4-chlorophenyl)-5-[[5-(4-methylpiperidin-1-yl)-4-(oxolan-2-ylmethyl)-1,2,4-triazol-3-yl]sulfanylmethyl]-1,2,4-oxadiazole
CID 24613525
3-methyl-6-(4-methylpiperidin-1-yl)pyridazine
CID 59712116
2-[[4-(4-chlorophenyl)-5-(2-methoxyphenyl)-1,2,4-triazol-3-yl]sulfanyl]-1-(4-methylpiperidin-1-yl)ethanone
CID 4804005

Frequently Asked Questions

What is the IUPAC name of 1-[4-(4-chlorophenyl)-5-methyl-1,2,4-triazol-3-yl]-4-methylpiperidine?
The IUPAC name of 1-[4-(4-chlorophenyl)-5-methyl-1,2,4-triazol-3-yl]-4-methylpiperidine (CID 141117275) is 1-[4-(4-chlorophenyl)-5-methyl-1,2,4-triazol-3-yl]-4-methylpiperidine.
What is the SMILES notation for 1-[4-(4-chlorophenyl)-5-methyl-1,2,4-triazol-3-yl]-4-methylpiperidine?
The canonical SMILES for 1-[4-(4-chlorophenyl)-5-methyl-1,2,4-triazol-3-yl]-4-methylpiperidine is Cc1nnc(N2CCC(C)CC2)n1-c1ccc(Cl)cc1.
What is the InChIKey of 1-[4-(4-chlorophenyl)-5-methyl-1,2,4-triazol-3-yl]-4-methylpiperidine?
The InChIKey is CRPHANBAQYWGFL-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19ClN4/c1-11-7-9-19(10-8-11)15-18-17-12(2)20(15)14-5-3-13(16)4-6-14/h3-6,11H,7-10H2,1-2H3.
What are the key properties of 1-[4-(4-chlorophenyl)-5-methyl-1,2,4-triazol-3-yl]-4-methylpiperidine?
1-[4-(4-chlorophenyl)-5-methyl-1,2,4-triazol-3-yl]-4-methylpiperidine has a molecular weight of 290.80 g/mol, XLogP of 3.47, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(4-chlorophenyl)-5-methyl-1,2,4-triazol-3-yl]-4-methylpiperidine is sourced from PubChem (CID 141117275), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).