2,6-ditert-butyl-4-[(4-ethylpiperazin-1-yl)-pyridin-2-ylmethyl]phenol

Name: 2,6-ditert-butyl-4-[(4-ethylpiperazin-1-yl)-pyridin-2-ylmethyl]phenol — Molecular Data
Creator: MolForge
License: https://creativecommons.org/publicdomain/zero/1.0/

C₂₆H₃₉N₃O — CID 155556957

Data last refreshed: 2026-04-15 (MolForge compound catalog, from PubChem)

IUPAC2,6-ditert-butyl-4-[(4-ethylpiperazin-1-yl)-pyridin-2-ylmethyl]phenol

SMILESCCN1CCN(C(c2cc(C(C)(C)C)c(O)c(C(C)(C)C)c2)c2ccccn2)CC1

InChIInChI=1S/C26H39N3O/c1-8-28-13-15-29(16-14-28)23(22-11-9-10-12-27-22)19-17-20(25(2,3)4)24(30)21(18-19)26(5,6)7/h9-12,17-18,23,30H,8,13-16H2,1-7H3

InChIKeyWLWZCLIYGFDPGU-UHFFFAOYSA-N

MW409.62 g/mol

LogP5.11

Rot. Bonds4

About 2,6-ditert-butyl-4-[(4-ethylpiperazin-1-yl)-pyridin-2-ylmethyl]phenol

2,6-ditert-butyl-4-[(4-ethylpiperazin-1-yl)-pyridin-2-ylmethyl]phenol (PubChem CID 155556957) has the molecular formula C₂₆H₃₉N₃O and a molecular weight of 409.62 g/mol. Its IUPAC name is 2,6-ditert-butyl-4-[(4-ethylpiperazin-1-yl)-pyridin-2-ylmethyl]phenol.

Molecular Properties

Compound Name	2,6-ditert-butyl-4-[(4-ethylpiperazin-1-yl)-pyridin-2-ylmethyl]phenol
PubChem CID	155556957
Molecular Formula	C₂₆H₃₉N₃O
Molecular Weight	409.62 g/mol
Exact Mass	409.31
IUPAC Name	2,6-ditert-butyl-4-[(4-ethylpiperazin-1-yl)-pyridin-2-ylmethyl]phenol
SMILES	CCN1CCN(C(c2cc(C(C)(C)C)c(O)c(C(C)(C)C)c2)c2ccccn2)CC1
InChI	InChI=1S/C26H39N3O/c1-8-28-13-15-29(16-14-28)23(22-11-9-10-12-27-22)19-17-20(25(2,3)4)24(30)21(18-19)26(5,6)7/h9-12,17-18,23,30H,8,13-16H2,1-7H3
InChIKey	WLWZCLIYGFDPGU-UHFFFAOYSA-N
XLogP	5.11
TPSA	39.60 Å²
H-Bond Donors	1
H-Bond Acceptors	4
Rotatable Bonds	4
Heavy Atoms	30
Complexity	—

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	409.62
LogP ≤ 5	5.11
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	4

Frequently Asked Questions

What is the IUPAC name of 2,6-ditert-butyl-4-[(4-ethylpiperazin-1-yl)-pyridin-2-ylmethyl]phenol?

The IUPAC name of 2,6-ditert-butyl-4-[(4-ethylpiperazin-1-yl)-pyridin-2-ylmethyl]phenol (CID 155556957) is 2,6-ditert-butyl-4-[(4-ethylpiperazin-1-yl)-pyridin-2-ylmethyl]phenol.

What is the SMILES notation for 2,6-ditert-butyl-4-[(4-ethylpiperazin-1-yl)-pyridin-2-ylmethyl]phenol?

The canonical SMILES for 2,6-ditert-butyl-4-[(4-ethylpiperazin-1-yl)-pyridin-2-ylmethyl]phenol is CCN1CCN(C(c2cc(C(C)(C)C)c(O)c(C(C)(C)C)c2)c2ccccn2)CC1.

What is the InChIKey of 2,6-ditert-butyl-4-[(4-ethylpiperazin-1-yl)-pyridin-2-ylmethyl]phenol?

The InChIKey is WLWZCLIYGFDPGU-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H39N3O/c1-8-28-13-15-29(16-14-28)23(22-11-9-10-12-27-22)19-17-20(25(2,3)4)24(30)21(18-19)26(5,6)7/h9-12,17-18,23,30H,8,13-16H2,1-7H3.

What are the key properties of 2,6-ditert-butyl-4-[(4-ethylpiperazin-1-yl)-pyridin-2-ylmethyl]phenol?

2,6-ditert-butyl-4-[(4-ethylpiperazin-1-yl)-pyridin-2-ylmethyl]phenol has a molecular weight of 409.62 g/mol, XLogP of 5.11, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for 2,6-ditert-butyl-4-[(4-ethylpiperazin-1-yl)-pyridin-2-ylmethyl]phenol is sourced from PubChem (CID 155556957), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

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Sources

PubChem CID 155556957 — identifiers, structure, computed properties (public domain)

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