4-[[4-[(9-ethylcarbazol-3-yl)methyl]piperazin-1-yl]methyl]-2,6-dimethoxyphenol

C28H33N3O3 — CID 3368243

IUPAC4-[[4-[(9-ethylcarbazol-3-yl)methyl]piperazin-1-yl]methyl]-2,6-dimethoxyphenol
SMILESCCn1c2ccccc2c2cc(CN3CCN(Cc4cc(OC)c(O)c(OC)c4)CC3)ccc21
InChIInChI=1S/C28H33N3O3/c1-4-31-24-8-6-5-7-22(24)23-15-20(9-10-25(23)31)18-29-11-13-30(14-12-29)19-21-16-26(33-2)28(32)27(17-21)34-3/h5-10,15-17,32H,4,11-14,18-19H2,1-3H3
InChIKeyJKKFBAUOTAGHQL-UHFFFAOYSA-N
MW459.59 g/mol
LogP4.86
Rot. Bonds7

About 4-[[4-[(9-ethylcarbazol-3-yl)methyl]piperazin-1-yl]methyl]-2,6-dimethoxyphenol

4-[[4-[(9-ethylcarbazol-3-yl)methyl]piperazin-1-yl]methyl]-2,6-dimethoxyphenol (PubChem CID 3368243) has the molecular formula C28H33N3O3 and a molecular weight of 459.59 g/mol. Its IUPAC name is 4-[[4-[(9-ethylcarbazol-3-yl)methyl]piperazin-1-yl]methyl]-2,6-dimethoxyphenol.

Molecular Properties

Compound Name4-[[4-[(9-ethylcarbazol-3-yl)methyl]piperazin-1-yl]methyl]-2,6-dimethoxyphenol
PubChem CID3368243
Molecular FormulaC28H33N3O3
Molecular Weight459.59 g/mol
Exact Mass459.25
IUPAC Name4-[[4-[(9-ethylcarbazol-3-yl)methyl]piperazin-1-yl]methyl]-2,6-dimethoxyphenol
SMILESCCn1c2ccccc2c2cc(CN3CCN(Cc4cc(OC)c(O)c(OC)c4)CC3)ccc21
InChIInChI=1S/C28H33N3O3/c1-4-31-24-8-6-5-7-22(24)23-15-20(9-10-25(23)31)18-29-11-13-30(14-12-29)19-21-16-26(33-2)28(32)27(17-21)34-3/h5-10,15-17,32H,4,11-14,18-19H2,1-3H3
InChIKeyJKKFBAUOTAGHQL-UHFFFAOYSA-N
XLogP4.86
TPSA50.10 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500459.59
LogP ≤ 54.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 4-[[4-[(9-ethylcarbazol-3-yl)methyl]piperazin-1-yl]methyl]-2,6-dimethoxyphenol?
The IUPAC name of 4-[[4-[(9-ethylcarbazol-3-yl)methyl]piperazin-1-yl]methyl]-2,6-dimethoxyphenol (CID 3368243) is 4-[[4-[(9-ethylcarbazol-3-yl)methyl]piperazin-1-yl]methyl]-2,6-dimethoxyphenol.
What is the SMILES notation for 4-[[4-[(9-ethylcarbazol-3-yl)methyl]piperazin-1-yl]methyl]-2,6-dimethoxyphenol?
The canonical SMILES for 4-[[4-[(9-ethylcarbazol-3-yl)methyl]piperazin-1-yl]methyl]-2,6-dimethoxyphenol is CCn1c2ccccc2c2cc(CN3CCN(Cc4cc(OC)c(O)c(OC)c4)CC3)ccc21.
What is the InChIKey of 4-[[4-[(9-ethylcarbazol-3-yl)methyl]piperazin-1-yl]methyl]-2,6-dimethoxyphenol?
The InChIKey is JKKFBAUOTAGHQL-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H33N3O3/c1-4-31-24-8-6-5-7-22(24)23-15-20(9-10-25(23)31)18-29-11-13-30(14-12-29)19-21-16-26(33-2)28(32)27(17-21)34-3/h5-10,15-17,32H,4,11-14,18-19H2,1-3H3.
What are the key properties of 4-[[4-[(9-ethylcarbazol-3-yl)methyl]piperazin-1-yl]methyl]-2,6-dimethoxyphenol?
4-[[4-[(9-ethylcarbazol-3-yl)methyl]piperazin-1-yl]methyl]-2,6-dimethoxyphenol has a molecular weight of 459.59 g/mol, XLogP of 4.86, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[4-[(9-ethylcarbazol-3-yl)methyl]piperazin-1-yl]methyl]-2,6-dimethoxyphenol is sourced from PubChem (CID 3368243), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).