[6-(hydroxymethylidene)-4-piperazin-1-ylcyclohexa-2,4-dien-1-ylidene]methanol

C12H16N2O2 — CID 90743393

IUPAC[6-(hydroxymethylidene)-4-piperazin-1-ylcyclohexa-2,4-dien-1-ylidene]methanol
SMILESOC=c1ccc(N2CCNCC2)cc1=CO
InChIInChI=1S/C12H16N2O2/c15-8-10-1-2-12(7-11(10)9-16)14-5-3-13-4-6-14/h1-2,7-9,13,15-16H,3-6H2
InChIKeyIEQMVYCUVUPWDL-UHFFFAOYSA-N
MW220.27 g/mol
LogP-0.31
Rot. Bonds1

About [6-(hydroxymethylidene)-4-piperazin-1-ylcyclohexa-2,4-dien-1-ylidene]methanol

[6-(hydroxymethylidene)-4-piperazin-1-ylcyclohexa-2,4-dien-1-ylidene]methanol (PubChem CID 90743393) has the molecular formula C12H16N2O2 and a molecular weight of 220.27 g/mol. Its IUPAC name is [6-(hydroxymethylidene)-4-piperazin-1-ylcyclohexa-2,4-dien-1-ylidene]methanol.

Molecular Properties

Compound Name[6-(hydroxymethylidene)-4-piperazin-1-ylcyclohexa-2,4-dien-1-ylidene]methanol
PubChem CID90743393
Molecular FormulaC12H16N2O2
Molecular Weight220.27 g/mol
Exact Mass220.12
IUPAC Name[6-(hydroxymethylidene)-4-piperazin-1-ylcyclohexa-2,4-dien-1-ylidene]methanol
SMILESOC=c1ccc(N2CCNCC2)cc1=CO
InChIInChI=1S/C12H16N2O2/c15-8-10-1-2-12(7-11(10)9-16)14-5-3-13-4-6-14/h1-2,7-9,13,15-16H,3-6H2
InChIKeyIEQMVYCUVUPWDL-UHFFFAOYSA-N
XLogP-0.31
TPSA55.73 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.27
LogP ≤ 5-0.31
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

2-[4-(4-Aminocyclohexa-1,5-dien-1-yl)piperazin-1-yl]ethanol
CID 123776511
[4-[4-(2-Aminoethyl)piperazin-1-yl]-6-(oxomethylidene)cyclohexa-2,4-dien-1-ylidene]methanone
CID 139644798
2-[(1Z)-1,4,4-triamino-3-piperazin-1-ylbuta-1,3-dienyl]cyclohexa-1,3-dien-1-ol
CID 168968776
(6-Piperazin-1-ylcyclohexa-1,5-dien-1-yl)methanol
CID 173070962
[6-(Hydroxymethylidene)-4-piperazin-1-ylcyclohexa-2,4-dien-1-ylidene]methanol;hydrochloride
CID 173133964

Frequently Asked Questions

What is the IUPAC name of [6-(hydroxymethylidene)-4-piperazin-1-ylcyclohexa-2,4-dien-1-ylidene]methanol?
The IUPAC name of [6-(hydroxymethylidene)-4-piperazin-1-ylcyclohexa-2,4-dien-1-ylidene]methanol (CID 90743393) is [6-(hydroxymethylidene)-4-piperazin-1-ylcyclohexa-2,4-dien-1-ylidene]methanol.
What is the SMILES notation for [6-(hydroxymethylidene)-4-piperazin-1-ylcyclohexa-2,4-dien-1-ylidene]methanol?
The canonical SMILES for [6-(hydroxymethylidene)-4-piperazin-1-ylcyclohexa-2,4-dien-1-ylidene]methanol is OC=c1ccc(N2CCNCC2)cc1=CO.
What is the InChIKey of [6-(hydroxymethylidene)-4-piperazin-1-ylcyclohexa-2,4-dien-1-ylidene]methanol?
The InChIKey is IEQMVYCUVUPWDL-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16N2O2/c15-8-10-1-2-12(7-11(10)9-16)14-5-3-13-4-6-14/h1-2,7-9,13,15-16H,3-6H2.
What are the key properties of [6-(hydroxymethylidene)-4-piperazin-1-ylcyclohexa-2,4-dien-1-ylidene]methanol?
[6-(hydroxymethylidene)-4-piperazin-1-ylcyclohexa-2,4-dien-1-ylidene]methanol has a molecular weight of 220.27 g/mol, XLogP of -0.31, 1 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [6-(hydroxymethylidene)-4-piperazin-1-ylcyclohexa-2,4-dien-1-ylidene]methanol is sourced from PubChem (CID 90743393), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).