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

C12H17ClN2O2 — CID 173133964

IUPAC[6-(hydroxymethylidene)-4-piperazin-1-ylcyclohexa-2,4-dien-1-ylidene]methanol;hydrochloride
SMILESCl.OC=c1ccc(N2CCNCC2)cc1=CO
InChIInChI=1S/C12H16N2O2.ClH/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;1H
InChIKeyBAAUIFFNYPHEPJ-UHFFFAOYSA-N
MW256.73 g/mol
LogP0.11
Rot. Bonds1

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

[6-(hydroxymethylidene)-4-piperazin-1-ylcyclohexa-2,4-dien-1-ylidene]methanol;hydrochloride (PubChem CID 173133964) has the molecular formula C12H17ClN2O2 and a molecular weight of 256.73 g/mol. Its IUPAC name is [6-(hydroxymethylidene)-4-piperazin-1-ylcyclohexa-2,4-dien-1-ylidene]methanol;hydrochloride.

Molecular Properties

Compound Name[6-(hydroxymethylidene)-4-piperazin-1-ylcyclohexa-2,4-dien-1-ylidene]methanol;hydrochloride
PubChem CID173133964
Molecular FormulaC12H17ClN2O2
Molecular Weight256.73 g/mol
Exact Mass256.10
IUPAC Name[6-(hydroxymethylidene)-4-piperazin-1-ylcyclohexa-2,4-dien-1-ylidene]methanol;hydrochloride
SMILESCl.OC=c1ccc(N2CCNCC2)cc1=CO
InChIInChI=1S/C12H16N2O2.ClH/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;1H
InChIKeyBAAUIFFNYPHEPJ-UHFFFAOYSA-N
XLogP0.11
TPSA55.73 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.73
LogP ≤ 50.11
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of [6-(hydroxymethylidene)-4-piperazin-1-ylcyclohexa-2,4-dien-1-ylidene]methanol;hydrochloride?
The IUPAC name of [6-(hydroxymethylidene)-4-piperazin-1-ylcyclohexa-2,4-dien-1-ylidene]methanol;hydrochloride (CID 173133964) is [6-(hydroxymethylidene)-4-piperazin-1-ylcyclohexa-2,4-dien-1-ylidene]methanol;hydrochloride.
What is the SMILES notation for [6-(hydroxymethylidene)-4-piperazin-1-ylcyclohexa-2,4-dien-1-ylidene]methanol;hydrochloride?
The canonical SMILES for [6-(hydroxymethylidene)-4-piperazin-1-ylcyclohexa-2,4-dien-1-ylidene]methanol;hydrochloride is Cl.OC=c1ccc(N2CCNCC2)cc1=CO.
What is the InChIKey of [6-(hydroxymethylidene)-4-piperazin-1-ylcyclohexa-2,4-dien-1-ylidene]methanol;hydrochloride?
The InChIKey is BAAUIFFNYPHEPJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16N2O2.ClH/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;1H.
What are the key properties of [6-(hydroxymethylidene)-4-piperazin-1-ylcyclohexa-2,4-dien-1-ylidene]methanol;hydrochloride?
[6-(hydroxymethylidene)-4-piperazin-1-ylcyclohexa-2,4-dien-1-ylidene]methanol;hydrochloride has a molecular weight of 256.73 g/mol, XLogP of 0.11, 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;hydrochloride is sourced from PubChem (CID 173133964), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).