4-[1-[2-(4-methoxyphenyl)ethyl]triazol-4-yl]-3-phenylmethoxypiperidine

C23H28N4O2 — CID 77392369

IUPAC4-[1-[2-(4-methoxyphenyl)ethyl]triazol-4-yl]-3-phenylmethoxypiperidine
SMILESCOc1ccc(CCn2cc(C3CCNCC3OCc3ccccc3)nn2)cc1
InChIInChI=1S/C23H28N4O2/c1-28-20-9-7-18(8-10-20)12-14-27-16-22(25-26-27)21-11-13-24-15-23(21)29-17-19-5-3-2-4-6-19/h2-10,16,21,23-24H,11-15,17H2,1H3
InChIKeyCCGHRXWELAGNFM-UHFFFAOYSA-N
MW392.50 g/mol
LogP3.19
Rot. Bonds8

About 4-[1-[2-(4-methoxyphenyl)ethyl]triazol-4-yl]-3-phenylmethoxypiperidine

4-[1-[2-(4-methoxyphenyl)ethyl]triazol-4-yl]-3-phenylmethoxypiperidine (PubChem CID 77392369) has the molecular formula C23H28N4O2 and a molecular weight of 392.50 g/mol. Its IUPAC name is 4-[1-[2-(4-methoxyphenyl)ethyl]triazol-4-yl]-3-phenylmethoxypiperidine.

Molecular Properties

Compound Name4-[1-[2-(4-methoxyphenyl)ethyl]triazol-4-yl]-3-phenylmethoxypiperidine
PubChem CID77392369
Molecular FormulaC23H28N4O2
Molecular Weight392.50 g/mol
Exact Mass392.22
IUPAC Name4-[1-[2-(4-methoxyphenyl)ethyl]triazol-4-yl]-3-phenylmethoxypiperidine
SMILESCOc1ccc(CCn2cc(C3CCNCC3OCc3ccccc3)nn2)cc1
InChIInChI=1S/C23H28N4O2/c1-28-20-9-7-18(8-10-20)12-14-27-16-22(25-26-27)21-11-13-24-15-23(21)29-17-19-5-3-2-4-6-19/h2-10,16,21,23-24H,11-15,17H2,1H3
InChIKeyCCGHRXWELAGNFM-UHFFFAOYSA-N
XLogP3.19
TPSA61.20 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500392.50
LogP ≤ 53.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 4-[1-[2-(4-methoxyphenyl)ethyl]triazol-4-yl]-3-phenylmethoxypiperidine?
The IUPAC name of 4-[1-[2-(4-methoxyphenyl)ethyl]triazol-4-yl]-3-phenylmethoxypiperidine (CID 77392369) is 4-[1-[2-(4-methoxyphenyl)ethyl]triazol-4-yl]-3-phenylmethoxypiperidine.
What is the SMILES notation for 4-[1-[2-(4-methoxyphenyl)ethyl]triazol-4-yl]-3-phenylmethoxypiperidine?
The canonical SMILES for 4-[1-[2-(4-methoxyphenyl)ethyl]triazol-4-yl]-3-phenylmethoxypiperidine is COc1ccc(CCn2cc(C3CCNCC3OCc3ccccc3)nn2)cc1.
What is the InChIKey of 4-[1-[2-(4-methoxyphenyl)ethyl]triazol-4-yl]-3-phenylmethoxypiperidine?
The InChIKey is CCGHRXWELAGNFM-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H28N4O2/c1-28-20-9-7-18(8-10-20)12-14-27-16-22(25-26-27)21-11-13-24-15-23(21)29-17-19-5-3-2-4-6-19/h2-10,16,21,23-24H,11-15,17H2,1H3.
What are the key properties of 4-[1-[2-(4-methoxyphenyl)ethyl]triazol-4-yl]-3-phenylmethoxypiperidine?
4-[1-[2-(4-methoxyphenyl)ethyl]triazol-4-yl]-3-phenylmethoxypiperidine has a molecular weight of 392.50 g/mol, XLogP of 3.19, 8 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[1-[2-(4-methoxyphenyl)ethyl]triazol-4-yl]-3-phenylmethoxypiperidine is sourced from PubChem (CID 77392369), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).