3-(piperazin-1-ylmethyl)cyclohexa-1,3-dien-1-ol

C11H18N2O — CID 126657044

IUPAC3-(piperazin-1-ylmethyl)cyclohexa-1,3-dien-1-ol
SMILESOC1=CC(CN2CCNCC2)=CCC1
InChIInChI=1S/C11H18N2O/c14-11-3-1-2-10(8-11)9-13-6-4-12-5-7-13/h2,8,12,14H,1,3-7,9H2
InChIKeyIONDERLSTFIKGU-UHFFFAOYSA-N
MW194.28 g/mol
LogP1.05
Rot. Bonds2

About 3-(piperazin-1-ylmethyl)cyclohexa-1,3-dien-1-ol

3-(piperazin-1-ylmethyl)cyclohexa-1,3-dien-1-ol (PubChem CID 126657044) has the molecular formula C11H18N2O and a molecular weight of 194.28 g/mol. Its IUPAC name is 3-(piperazin-1-ylmethyl)cyclohexa-1,3-dien-1-ol.

Molecular Properties

Compound Name3-(piperazin-1-ylmethyl)cyclohexa-1,3-dien-1-ol
PubChem CID126657044
Molecular FormulaC11H18N2O
Molecular Weight194.28 g/mol
Exact Mass194.14
IUPAC Name3-(piperazin-1-ylmethyl)cyclohexa-1,3-dien-1-ol
SMILESOC1=CC(CN2CCNCC2)=CCC1
InChIInChI=1S/C11H18N2O/c14-11-3-1-2-10(8-11)9-13-6-4-12-5-7-13/h2,8,12,14H,1,3-7,9H2
InChIKeyIONDERLSTFIKGU-UHFFFAOYSA-N
XLogP1.05
TPSA35.50 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500194.28
LogP ≤ 51.05
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-(piperazin-1-ylmethyl)cyclohexa-1,3-dien-1-ol?
The IUPAC name of 3-(piperazin-1-ylmethyl)cyclohexa-1,3-dien-1-ol (CID 126657044) is 3-(piperazin-1-ylmethyl)cyclohexa-1,3-dien-1-ol.
What is the SMILES notation for 3-(piperazin-1-ylmethyl)cyclohexa-1,3-dien-1-ol?
The canonical SMILES for 3-(piperazin-1-ylmethyl)cyclohexa-1,3-dien-1-ol is OC1=CC(CN2CCNCC2)=CCC1.
What is the InChIKey of 3-(piperazin-1-ylmethyl)cyclohexa-1,3-dien-1-ol?
The InChIKey is IONDERLSTFIKGU-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18N2O/c14-11-3-1-2-10(8-11)9-13-6-4-12-5-7-13/h2,8,12,14H,1,3-7,9H2.
What are the key properties of 3-(piperazin-1-ylmethyl)cyclohexa-1,3-dien-1-ol?
3-(piperazin-1-ylmethyl)cyclohexa-1,3-dien-1-ol has a molecular weight of 194.28 g/mol, XLogP of 1.05, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(piperazin-1-ylmethyl)cyclohexa-1,3-dien-1-ol is sourced from PubChem (CID 126657044), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).