2-(4-cyclohexa-1,5-dien-1-ylpiperazin-1-yl)ethanol

C12H20N2O — CID 173071004

IUPAC2-(4-cyclohexa-1,5-dien-1-ylpiperazin-1-yl)ethanol
SMILESOCCN1CCN(C2=CCCC=C2)CC1
InChIInChI=1S/C12H20N2O/c15-11-10-13-6-8-14(9-7-13)12-4-2-1-3-5-12/h2,4-5,15H,1,3,6-11H2
InChIKeyKFWPKEMLWSIFKQ-UHFFFAOYSA-N
MW208.30 g/mol
LogP0.83
Rot. Bonds3

About 2-(4-cyclohexa-1,5-dien-1-ylpiperazin-1-yl)ethanol

2-(4-cyclohexa-1,5-dien-1-ylpiperazin-1-yl)ethanol (PubChem CID 173071004) has the molecular formula C12H20N2O and a molecular weight of 208.30 g/mol. Its IUPAC name is 2-(4-cyclohexa-1,5-dien-1-ylpiperazin-1-yl)ethanol.

Molecular Properties

Compound Name2-(4-cyclohexa-1,5-dien-1-ylpiperazin-1-yl)ethanol
PubChem CID173071004
Molecular FormulaC12H20N2O
Molecular Weight208.30 g/mol
Exact Mass208.16
IUPAC Name2-(4-cyclohexa-1,5-dien-1-ylpiperazin-1-yl)ethanol
SMILESOCCN1CCN(C2=CCCC=C2)CC1
InChIInChI=1S/C12H20N2O/c15-11-10-13-6-8-14(9-7-13)12-4-2-1-3-5-12/h2,4-5,15H,1,3,6-11H2
InChIKeyKFWPKEMLWSIFKQ-UHFFFAOYSA-N
XLogP0.83
TPSA26.71 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.30
LogP ≤ 50.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-cyclohexa-1,5-dien-1-yl-4-methylpiperazine;ethane
CID 143478856
2-[4-[2-[4,7-bis(2-hydroxyethyl)-1,4,7-triazonan-1-yl]ethyl]-7-(2-hydroxyethyl)-1,4,7-triazonan-1-yl]ethanol
CID 18512424
2-(4-methanidylpiperazin-1-yl)ethanol
CID 20723281
2-[4-(4-bromophenyl)piperazin-1-yl]ethanol
CID 82124353
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CID 114061206
2-[4-(2-hydroxyethyl)piperazin-1-yl]ethanol;[4-(hydroxymethyl)piperazin-1-yl]methanol
CID 69172076
2-[4-(3,5,6-trifluoro-2-pyridinyl)piperazin-1-yl]ethanol
CID 106547734
fluoro hypofluorite;2-[4-(2-hydroxyethyl)piperazin-1-yl]ethanol
CID 70545422
4-[4-(2-hydroxyethyl)piperazin-1-yl]benzenesulfonic acid
CID 22147110
5-[4-(2-hydroxyethyl)piperazin-1-yl]-1-methylpyrazole-4-carboxylic acid
CID 69158990
2-[4-[3-tert-butyl-5-(trifluoromethyl)phenyl]piperazin-1-yl]ethanol
CID 59774719
ethane;2-(4-methylpiperazin-1-yl)ethanol;vanadium
CID 176984837

Frequently Asked Questions

What is the IUPAC name of 2-(4-cyclohexa-1,5-dien-1-ylpiperazin-1-yl)ethanol?
The IUPAC name of 2-(4-cyclohexa-1,5-dien-1-ylpiperazin-1-yl)ethanol (CID 173071004) is 2-(4-cyclohexa-1,5-dien-1-ylpiperazin-1-yl)ethanol.
What is the SMILES notation for 2-(4-cyclohexa-1,5-dien-1-ylpiperazin-1-yl)ethanol?
The canonical SMILES for 2-(4-cyclohexa-1,5-dien-1-ylpiperazin-1-yl)ethanol is OCCN1CCN(C2=CCCC=C2)CC1.
What is the InChIKey of 2-(4-cyclohexa-1,5-dien-1-ylpiperazin-1-yl)ethanol?
The InChIKey is KFWPKEMLWSIFKQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20N2O/c15-11-10-13-6-8-14(9-7-13)12-4-2-1-3-5-12/h2,4-5,15H,1,3,6-11H2.
What are the key properties of 2-(4-cyclohexa-1,5-dien-1-ylpiperazin-1-yl)ethanol?
2-(4-cyclohexa-1,5-dien-1-ylpiperazin-1-yl)ethanol has a molecular weight of 208.30 g/mol, XLogP of 0.83, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-cyclohexa-1,5-dien-1-ylpiperazin-1-yl)ethanol is sourced from PubChem (CID 173071004), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).