3-[4-[2-[1-[(4-ethylpiperazin-1-yl)methyl]imidazol-4-yl]ethyl]piperazin-1-yl]propan-1-ol

C19H36N6O — CID 123165736

IUPAC3-[4-[2-[1-[(4-ethylpiperazin-1-yl)methyl]imidazol-4-yl]ethyl]piperazin-1-yl]propan-1-ol
SMILESCCN1CCN(Cn2cnc(CCN3CCN(CCCO)CC3)c2)CC1
InChIInChI=1S/C19H36N6O/c1-2-21-7-13-24(14-8-21)18-25-16-19(20-17-25)4-6-23-11-9-22(10-12-23)5-3-15-26/h16-17,26H,2-15,18H2,1H3
InChIKeyXIYHQQJRZURZSP-UHFFFAOYSA-N
MW364.54 g/mol
LogP0.02
Rot. Bonds9

About 3-[4-[2-[1-[(4-ethylpiperazin-1-yl)methyl]imidazol-4-yl]ethyl]piperazin-1-yl]propan-1-ol

3-[4-[2-[1-[(4-ethylpiperazin-1-yl)methyl]imidazol-4-yl]ethyl]piperazin-1-yl]propan-1-ol (PubChem CID 123165736) has the molecular formula C19H36N6O and a molecular weight of 364.54 g/mol. Its IUPAC name is 3-[4-[2-[1-[(4-ethylpiperazin-1-yl)methyl]imidazol-4-yl]ethyl]piperazin-1-yl]propan-1-ol.

Molecular Properties

Compound Name3-[4-[2-[1-[(4-ethylpiperazin-1-yl)methyl]imidazol-4-yl]ethyl]piperazin-1-yl]propan-1-ol
PubChem CID123165736
Molecular FormulaC19H36N6O
Molecular Weight364.54 g/mol
Exact Mass364.30
IUPAC Name3-[4-[2-[1-[(4-ethylpiperazin-1-yl)methyl]imidazol-4-yl]ethyl]piperazin-1-yl]propan-1-ol
SMILESCCN1CCN(Cn2cnc(CCN3CCN(CCCO)CC3)c2)CC1
InChIInChI=1S/C19H36N6O/c1-2-21-7-13-24(14-8-21)18-25-16-19(20-17-25)4-6-23-11-9-22(10-12-23)5-3-15-26/h16-17,26H,2-15,18H2,1H3
InChIKeyXIYHQQJRZURZSP-UHFFFAOYSA-N
XLogP0.02
TPSA51.01 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds9
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.54
LogP ≤ 50.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 3-[4-[2-[1-[(4-ethylpiperazin-1-yl)methyl]imidazol-4-yl]ethyl]piperazin-1-yl]propan-1-ol?
The IUPAC name of 3-[4-[2-[1-[(4-ethylpiperazin-1-yl)methyl]imidazol-4-yl]ethyl]piperazin-1-yl]propan-1-ol (CID 123165736) is 3-[4-[2-[1-[(4-ethylpiperazin-1-yl)methyl]imidazol-4-yl]ethyl]piperazin-1-yl]propan-1-ol.
What is the SMILES notation for 3-[4-[2-[1-[(4-ethylpiperazin-1-yl)methyl]imidazol-4-yl]ethyl]piperazin-1-yl]propan-1-ol?
The canonical SMILES for 3-[4-[2-[1-[(4-ethylpiperazin-1-yl)methyl]imidazol-4-yl]ethyl]piperazin-1-yl]propan-1-ol is CCN1CCN(Cn2cnc(CCN3CCN(CCCO)CC3)c2)CC1.
What is the InChIKey of 3-[4-[2-[1-[(4-ethylpiperazin-1-yl)methyl]imidazol-4-yl]ethyl]piperazin-1-yl]propan-1-ol?
The InChIKey is XIYHQQJRZURZSP-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H36N6O/c1-2-21-7-13-24(14-8-21)18-25-16-19(20-17-25)4-6-23-11-9-22(10-12-23)5-3-15-26/h16-17,26H,2-15,18H2,1H3.
What are the key properties of 3-[4-[2-[1-[(4-ethylpiperazin-1-yl)methyl]imidazol-4-yl]ethyl]piperazin-1-yl]propan-1-ol?
3-[4-[2-[1-[(4-ethylpiperazin-1-yl)methyl]imidazol-4-yl]ethyl]piperazin-1-yl]propan-1-ol has a molecular weight of 364.54 g/mol, XLogP of 0.02, 9 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[4-[2-[1-[(4-ethylpiperazin-1-yl)methyl]imidazol-4-yl]ethyl]piperazin-1-yl]propan-1-ol is sourced from PubChem (CID 123165736), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).