4-methoxy-1-[4-methyl-5-(1-phenylcyclopropyl)-1,2,4-triazol-3-yl]piperidine

C18H24N4O — CID 59216026

IUPAC4-methoxy-1-[4-methyl-5-(1-phenylcyclopropyl)-1,2,4-triazol-3-yl]piperidine
SMILESCOC1CCN(c2nnc(C3(c4ccccc4)CC3)n2C)CC1
InChIInChI=1S/C18H24N4O/c1-21-16(18(10-11-18)14-6-4-3-5-7-14)19-20-17(21)22-12-8-15(23-2)9-13-22/h3-7,15H,8-13H2,1-2H3
InChIKeyPJXFNCHYDPHIKJ-UHFFFAOYSA-N
MW312.42 g/mol
LogP2.51
Rot. Bonds4

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

4-methoxy-1-[4-methyl-5-(1-phenylcyclopropyl)-1,2,4-triazol-3-yl]piperidine (PubChem CID 59216026) has the molecular formula C18H24N4O and a molecular weight of 312.42 g/mol. Its IUPAC name is 4-methoxy-1-[4-methyl-5-(1-phenylcyclopropyl)-1,2,4-triazol-3-yl]piperidine.

Molecular Properties

Compound Name4-methoxy-1-[4-methyl-5-(1-phenylcyclopropyl)-1,2,4-triazol-3-yl]piperidine
PubChem CID59216026
Molecular FormulaC18H24N4O
Molecular Weight312.42 g/mol
Exact Mass312.20
IUPAC Name4-methoxy-1-[4-methyl-5-(1-phenylcyclopropyl)-1,2,4-triazol-3-yl]piperidine
SMILESCOC1CCN(c2nnc(C3(c4ccccc4)CC3)n2C)CC1
InChIInChI=1S/C18H24N4O/c1-21-16(18(10-11-18)14-6-4-3-5-7-14)19-20-17(21)22-12-8-15(23-2)9-13-22/h3-7,15H,8-13H2,1-2H3
InChIKeyPJXFNCHYDPHIKJ-UHFFFAOYSA-N
XLogP2.51
TPSA43.18 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.42
LogP ≤ 52.51
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-methoxy-1-[4-methyl-5-(1-phenylcyclopropyl)-1,2,4-triazol-3-yl]piperidine?
The IUPAC name of 4-methoxy-1-[4-methyl-5-(1-phenylcyclopropyl)-1,2,4-triazol-3-yl]piperidine (CID 59216026) is 4-methoxy-1-[4-methyl-5-(1-phenylcyclopropyl)-1,2,4-triazol-3-yl]piperidine.
What is the SMILES notation for 4-methoxy-1-[4-methyl-5-(1-phenylcyclopropyl)-1,2,4-triazol-3-yl]piperidine?
The canonical SMILES for 4-methoxy-1-[4-methyl-5-(1-phenylcyclopropyl)-1,2,4-triazol-3-yl]piperidine is COC1CCN(c2nnc(C3(c4ccccc4)CC3)n2C)CC1.
What is the InChIKey of 4-methoxy-1-[4-methyl-5-(1-phenylcyclopropyl)-1,2,4-triazol-3-yl]piperidine?
The InChIKey is PJXFNCHYDPHIKJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H24N4O/c1-21-16(18(10-11-18)14-6-4-3-5-7-14)19-20-17(21)22-12-8-15(23-2)9-13-22/h3-7,15H,8-13H2,1-2H3.
What are the key properties of 4-methoxy-1-[4-methyl-5-(1-phenylcyclopropyl)-1,2,4-triazol-3-yl]piperidine?
4-methoxy-1-[4-methyl-5-(1-phenylcyclopropyl)-1,2,4-triazol-3-yl]piperidine has a molecular weight of 312.42 g/mol, XLogP of 2.51, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methoxy-1-[4-methyl-5-(1-phenylcyclopropyl)-1,2,4-triazol-3-yl]piperidine is sourced from PubChem (CID 59216026), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).