2-[1-cyclohexyl-4-[(1-ethylimidazol-2-yl)methyl]piperazin-2-yl]ethanol

C18H32N4O — CID 45222950

IUPAC2-[1-cyclohexyl-4-[(1-ethylimidazol-2-yl)methyl]piperazin-2-yl]ethanol
SMILESCCn1ccnc1CN1CCN(C2CCCCC2)C(CCO)C1
InChIInChI=1S/C18H32N4O/c1-2-21-10-9-19-18(21)15-20-11-12-22(17(14-20)8-13-23)16-6-4-3-5-7-16/h9-10,16-17,23H,2-8,11-15H2,1H3
InChIKeyOCGINQYBWIYZOO-UHFFFAOYSA-N
MW320.48 g/mol
LogP2.10
Rot. Bonds6

About 2-[1-cyclohexyl-4-[(1-ethylimidazol-2-yl)methyl]piperazin-2-yl]ethanol

2-[1-cyclohexyl-4-[(1-ethylimidazol-2-yl)methyl]piperazin-2-yl]ethanol (PubChem CID 45222950) has the molecular formula C18H32N4O and a molecular weight of 320.48 g/mol. Its IUPAC name is 2-[1-cyclohexyl-4-[(1-ethylimidazol-2-yl)methyl]piperazin-2-yl]ethanol.

Molecular Properties

Compound Name2-[1-cyclohexyl-4-[(1-ethylimidazol-2-yl)methyl]piperazin-2-yl]ethanol
PubChem CID45222950
Molecular FormulaC18H32N4O
Molecular Weight320.48 g/mol
Exact Mass320.26
IUPAC Name2-[1-cyclohexyl-4-[(1-ethylimidazol-2-yl)methyl]piperazin-2-yl]ethanol
SMILESCCn1ccnc1CN1CCN(C2CCCCC2)C(CCO)C1
InChIInChI=1S/C18H32N4O/c1-2-21-10-9-19-18(21)15-20-11-12-22(17(14-20)8-13-23)16-6-4-3-5-7-16/h9-10,16-17,23H,2-8,11-15H2,1H3
InChIKeyOCGINQYBWIYZOO-UHFFFAOYSA-N
XLogP2.10
TPSA44.53 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.48
LogP ≤ 52.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-[4-[(1-ethyl-1H-imidazol-2-yl)methyl]-1-(3-methylbutyl)-2-piperazinyl]ethanol
CID 16189123
2-[4-[(1-ethyl-1H-imidazol-2-yl)methyl]-1-(3-methylbut-2-en-1-yl)piperazin-2-yl]ethanol
CID 16191016
2-{4-[(1-ethyl-1H-imidazol-2-yl)methyl]-1-isobutyl-2-piperazinyl}ethanol
CID 16187268
[(3R*,4R*)-1-[(1-methyl-1H-imidazol-2-yl)methyl]-4-(piperidin-1-ylmethyl)pyrrolidin-3-yl]methanol
CID 70755500
{(3R*,4R*)-4-(piperidin-1-ylmethyl)-1-[(1-propyl-1H-imidazol-2-yl)methyl]pyrrolidin-3-yl}methanol
CID 70781451
[1-({(3R*,4R*)-4-(hydroxymethyl)-1-[(1-methyl-1H-imidazol-2-yl)methyl]pyrrolidin-3-yl}methyl)piperidin-4-yl]methanol
CID 72861188
1-[2-(2-Propan-2-ylimidazol-1-yl)ethyl]piperidin-4-ol
CID 56867802
(4-{[1-(2-methoxyethyl)-1H-imidazol-2-yl]methyl}-1-methylpiperazin-2-yl)methanol
CID 86284570
2-{1-methyl-4-[3-(2-methyl-1H-imidazol-1-yl)propyl]piperazin-2-yl}ethanol
CID 91837137
2-[(2R)-1-[2-(2-ethylimidazol-1-yl)ethyl]piperidin-2-yl]ethanol
CID 124750846
(3S)-1-[1-(3-imidazol-1-ylpropyl)piperidin-4-yl]piperidin-3-ol
CID 171359510
10-(1H-imidazol-1-yl)octadecan-1-ol
CID 86691654

Frequently Asked Questions

What is the IUPAC name of 2-[1-cyclohexyl-4-[(1-ethylimidazol-2-yl)methyl]piperazin-2-yl]ethanol?
The IUPAC name of 2-[1-cyclohexyl-4-[(1-ethylimidazol-2-yl)methyl]piperazin-2-yl]ethanol (CID 45222950) is 2-[1-cyclohexyl-4-[(1-ethylimidazol-2-yl)methyl]piperazin-2-yl]ethanol.
What is the SMILES notation for 2-[1-cyclohexyl-4-[(1-ethylimidazol-2-yl)methyl]piperazin-2-yl]ethanol?
The canonical SMILES for 2-[1-cyclohexyl-4-[(1-ethylimidazol-2-yl)methyl]piperazin-2-yl]ethanol is CCn1ccnc1CN1CCN(C2CCCCC2)C(CCO)C1.
What is the InChIKey of 2-[1-cyclohexyl-4-[(1-ethylimidazol-2-yl)methyl]piperazin-2-yl]ethanol?
The InChIKey is OCGINQYBWIYZOO-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H32N4O/c1-2-21-10-9-19-18(21)15-20-11-12-22(17(14-20)8-13-23)16-6-4-3-5-7-16/h9-10,16-17,23H,2-8,11-15H2,1H3.
What are the key properties of 2-[1-cyclohexyl-4-[(1-ethylimidazol-2-yl)methyl]piperazin-2-yl]ethanol?
2-[1-cyclohexyl-4-[(1-ethylimidazol-2-yl)methyl]piperazin-2-yl]ethanol has a molecular weight of 320.48 g/mol, XLogP of 2.10, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-cyclohexyl-4-[(1-ethylimidazol-2-yl)methyl]piperazin-2-yl]ethanol is sourced from PubChem (CID 45222950), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).