1-[(4-ethoxy-3-methoxyphenyl)methyl]-4-(4-propyl-1,2,4-triazol-3-yl)piperidine

C20H30N4O2 — CID 53192551

IUPAC1-[(4-ethoxy-3-methoxyphenyl)methyl]-4-(4-propyl-1,2,4-triazol-3-yl)piperidine
SMILESCCCn1cnnc1C1CCN(Cc2ccc(OCC)c(OC)c2)CC1
InChIInChI=1S/C20H30N4O2/c1-4-10-24-15-21-22-20(24)17-8-11-23(12-9-17)14-16-6-7-18(26-5-2)19(13-16)25-3/h6-7,13,15,17H,4-5,8-12,14H2,1-3H3
InChIKeyBBTHNLBVUQSOAU-UHFFFAOYSA-N
MW358.49 g/mol
LogP3.47
Rot. Bonds8

About 1-[(4-ethoxy-3-methoxyphenyl)methyl]-4-(4-propyl-1,2,4-triazol-3-yl)piperidine

1-[(4-ethoxy-3-methoxyphenyl)methyl]-4-(4-propyl-1,2,4-triazol-3-yl)piperidine (PubChem CID 53192551) has the molecular formula C20H30N4O2 and a molecular weight of 358.49 g/mol. Its IUPAC name is 1-[(4-ethoxy-3-methoxyphenyl)methyl]-4-(4-propyl-1,2,4-triazol-3-yl)piperidine.

Molecular Properties

Compound Name1-[(4-ethoxy-3-methoxyphenyl)methyl]-4-(4-propyl-1,2,4-triazol-3-yl)piperidine
PubChem CID53192551
Molecular FormulaC20H30N4O2
Molecular Weight358.49 g/mol
Exact Mass358.24
IUPAC Name1-[(4-ethoxy-3-methoxyphenyl)methyl]-4-(4-propyl-1,2,4-triazol-3-yl)piperidine
SMILESCCCn1cnnc1C1CCN(Cc2ccc(OCC)c(OC)c2)CC1
InChIInChI=1S/C20H30N4O2/c1-4-10-24-15-21-22-20(24)17-8-11-23(12-9-17)14-16-6-7-18(26-5-2)19(13-16)25-3/h6-7,13,15,17H,4-5,8-12,14H2,1-3H3
InChIKeyBBTHNLBVUQSOAU-UHFFFAOYSA-N
XLogP3.47
TPSA52.41 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.49
LogP ≤ 53.47
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze 1-[(4-ethoxy-3-methoxyphenyl)methyl]-4-(4-propyl-1,2,4-triazol-3-yl)piperidine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 1-[(4-ethoxy-3-methoxyphenyl)methyl]-4-(4-propyl-1,2,4-triazol-3-yl)piperidine?
The IUPAC name of 1-[(4-ethoxy-3-methoxyphenyl)methyl]-4-(4-propyl-1,2,4-triazol-3-yl)piperidine (CID 53192551) is 1-[(4-ethoxy-3-methoxyphenyl)methyl]-4-(4-propyl-1,2,4-triazol-3-yl)piperidine.
What is the SMILES notation for 1-[(4-ethoxy-3-methoxyphenyl)methyl]-4-(4-propyl-1,2,4-triazol-3-yl)piperidine?
The canonical SMILES for 1-[(4-ethoxy-3-methoxyphenyl)methyl]-4-(4-propyl-1,2,4-triazol-3-yl)piperidine is CCCn1cnnc1C1CCN(Cc2ccc(OCC)c(OC)c2)CC1.
What is the InChIKey of 1-[(4-ethoxy-3-methoxyphenyl)methyl]-4-(4-propyl-1,2,4-triazol-3-yl)piperidine?
The InChIKey is BBTHNLBVUQSOAU-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H30N4O2/c1-4-10-24-15-21-22-20(24)17-8-11-23(12-9-17)14-16-6-7-18(26-5-2)19(13-16)25-3/h6-7,13,15,17H,4-5,8-12,14H2,1-3H3.
What are the key properties of 1-[(4-ethoxy-3-methoxyphenyl)methyl]-4-(4-propyl-1,2,4-triazol-3-yl)piperidine?
1-[(4-ethoxy-3-methoxyphenyl)methyl]-4-(4-propyl-1,2,4-triazol-3-yl)piperidine has a molecular weight of 358.49 g/mol, XLogP of 3.47, 8 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(4-ethoxy-3-methoxyphenyl)methyl]-4-(4-propyl-1,2,4-triazol-3-yl)piperidine is sourced from PubChem (CID 53192551), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).