1-[4-methyl-5-(1-phenylcyclopropyl)-1,2,4-triazol-3-yl]-4-propan-2-ylpiperidine

C20H28N4 — CID 59216145

IUPAC1-[4-methyl-5-(1-phenylcyclopropyl)-1,2,4-triazol-3-yl]-4-propan-2-ylpiperidine
SMILESCC(C)C1CCN(c2nnc(C3(c4ccccc4)CC3)n2C)CC1
InChIInChI=1S/C20H28N4/c1-15(2)16-9-13-24(14-10-16)19-22-21-18(23(19)3)20(11-12-20)17-7-5-4-6-8-17/h4-8,15-16H,9-14H2,1-3H3
InChIKeyYGENDOUNZOUNRH-UHFFFAOYSA-N
MW324.47 g/mol
LogP3.77
Rot. Bonds4

About 1-[4-methyl-5-(1-phenylcyclopropyl)-1,2,4-triazol-3-yl]-4-propan-2-ylpiperidine

1-[4-methyl-5-(1-phenylcyclopropyl)-1,2,4-triazol-3-yl]-4-propan-2-ylpiperidine (PubChem CID 59216145) has the molecular formula C20H28N4 and a molecular weight of 324.47 g/mol. Its IUPAC name is 1-[4-methyl-5-(1-phenylcyclopropyl)-1,2,4-triazol-3-yl]-4-propan-2-ylpiperidine.

Molecular Properties

Compound Name1-[4-methyl-5-(1-phenylcyclopropyl)-1,2,4-triazol-3-yl]-4-propan-2-ylpiperidine
PubChem CID59216145
Molecular FormulaC20H28N4
Molecular Weight324.47 g/mol
Exact Mass324.23
IUPAC Name1-[4-methyl-5-(1-phenylcyclopropyl)-1,2,4-triazol-3-yl]-4-propan-2-ylpiperidine
SMILESCC(C)C1CCN(c2nnc(C3(c4ccccc4)CC3)n2C)CC1
InChIInChI=1S/C20H28N4/c1-15(2)16-9-13-24(14-10-16)19-22-21-18(23(19)3)20(11-12-20)17-7-5-4-6-8-17/h4-8,15-16H,9-14H2,1-3H3
InChIKeyYGENDOUNZOUNRH-UHFFFAOYSA-N
XLogP3.77
TPSA33.95 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.47
LogP ≤ 53.77
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

1-[4-methyl-5-(1-phenylcyclopropyl)-1,2,4-triazol-3-yl]piperidin-4-amine
CID 59216048
4-methoxy-1-[4-methyl-5-(1-phenylcyclopropyl)-1,2,4-triazol-3-yl]piperidine
CID 59216026
1-[4-methyl-5-(1-phenylcyclopropyl)-1,2,4-triazol-3-yl]piperazine
CID 59216169
methyl 1-[4-methyl-5-(1-phenylcyclopropyl)-1,2,4-triazol-3-yl]piperidine-4-carboxylate;hydrochloride
CID 162308852
2-[4-methyl-5-(1-phenylcyclopropyl)-1,2,4-triazol-3-yl]-1,3-dihydroisoindole
CID 59216233
tert-butyl N-methyl-N-[1-[4-methyl-5-(1-phenylcyclopropyl)-1,2,4-triazol-3-yl]piperidin-4-yl]carbamate
CID 59216150
1-(2,4-dichlorophenoxy)-4-[4-methyl-5-(1-phenylcyclopropyl)-1,2,4-triazol-3-yl]piperazine
CID 59216078
3,5-dichloro-2-[1-[4-methyl-5-(1-phenylcyclopentyl)-1,2,4-triazol-3-yl]piperidin-4-yl]oxypyridine
CID 59216113
1-[5-(1-benzylcyclopropyl)-4-methyl-1,2,4-triazol-3-yl]-N-methylpiperidin-4-amine
CID 143046728
1-[4-[4-methyl-5-(1-phenylcyclopropyl)-1,2,4-triazol-3-yl]piperidin-1-yl]ethanone;hydrochloride
CID 162332726
N,4-dimethyl-N-phenyl-5-(1-phenylcyclopropyl)-1,2,4-triazol-3-amine
CID 59216089
1-(2,4-dichlorophenoxy)-4-[4-methyl-5-(1-phenylcyclopropyl)-1,2,4-triazol-3-yl]piperidine
CID 59216105

Frequently Asked Questions

What is the IUPAC name of 1-[4-methyl-5-(1-phenylcyclopropyl)-1,2,4-triazol-3-yl]-4-propan-2-ylpiperidine?
The IUPAC name of 1-[4-methyl-5-(1-phenylcyclopropyl)-1,2,4-triazol-3-yl]-4-propan-2-ylpiperidine (CID 59216145) is 1-[4-methyl-5-(1-phenylcyclopropyl)-1,2,4-triazol-3-yl]-4-propan-2-ylpiperidine.
What is the SMILES notation for 1-[4-methyl-5-(1-phenylcyclopropyl)-1,2,4-triazol-3-yl]-4-propan-2-ylpiperidine?
The canonical SMILES for 1-[4-methyl-5-(1-phenylcyclopropyl)-1,2,4-triazol-3-yl]-4-propan-2-ylpiperidine is CC(C)C1CCN(c2nnc(C3(c4ccccc4)CC3)n2C)CC1.
What is the InChIKey of 1-[4-methyl-5-(1-phenylcyclopropyl)-1,2,4-triazol-3-yl]-4-propan-2-ylpiperidine?
The InChIKey is YGENDOUNZOUNRH-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H28N4/c1-15(2)16-9-13-24(14-10-16)19-22-21-18(23(19)3)20(11-12-20)17-7-5-4-6-8-17/h4-8,15-16H,9-14H2,1-3H3.
What are the key properties of 1-[4-methyl-5-(1-phenylcyclopropyl)-1,2,4-triazol-3-yl]-4-propan-2-ylpiperidine?
1-[4-methyl-5-(1-phenylcyclopropyl)-1,2,4-triazol-3-yl]-4-propan-2-ylpiperidine has a molecular weight of 324.47 g/mol, XLogP of 3.77, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-methyl-5-(1-phenylcyclopropyl)-1,2,4-triazol-3-yl]-4-propan-2-ylpiperidine is sourced from PubChem (CID 59216145), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).