3-piperazin-1-ylcyclohexa-1,3-dien-1-ol

C10H16N2O — CID 143618271

IUPAC3-piperazin-1-ylcyclohexa-1,3-dien-1-ol
SMILESOC1=CC(N2CCNCC2)=CCC1
InChIInChI=1S/C10H16N2O/c13-10-3-1-2-9(8-10)12-6-4-11-5-7-12/h2,8,11,13H,1,3-7H2
InChIKeyJPODBBXPTLJVMB-UHFFFAOYSA-N
MW180.25 g/mol
LogP1.01
Rot. Bonds1

About 3-piperazin-1-ylcyclohexa-1,3-dien-1-ol

3-piperazin-1-ylcyclohexa-1,3-dien-1-ol (PubChem CID 143618271) has the molecular formula C10H16N2O and a molecular weight of 180.25 g/mol. Its IUPAC name is 3-piperazin-1-ylcyclohexa-1,3-dien-1-ol.

Molecular Properties

Compound Name3-piperazin-1-ylcyclohexa-1,3-dien-1-ol
PubChem CID143618271
Molecular FormulaC10H16N2O
Molecular Weight180.25 g/mol
Exact Mass180.13
IUPAC Name3-piperazin-1-ylcyclohexa-1,3-dien-1-ol
SMILESOC1=CC(N2CCNCC2)=CCC1
InChIInChI=1S/C10H16N2O/c13-10-3-1-2-9(8-10)12-6-4-11-5-7-12/h2,8,11,13H,1,3-7H2
InChIKeyJPODBBXPTLJVMB-UHFFFAOYSA-N
XLogP1.01
TPSA35.50 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500180.25
LogP ≤ 51.01
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

3-[Methyl-[2-(methylamino)ethyl]amino]cyclohexa-1,3-dien-1-ol
CID 89224469
3-(Piperazin-1-ylmethyl)cyclohexa-1,3-dien-1-ol
CID 126657044
(3E,5Z,7E)-7-piperazin-1-ylnona-3,5,7-trien-4-ol
CID 141950519
5-Piperazin-1-ylcyclohexa-1,3-dien-1-ol
CID 164031567
Ethane;3-(propan-2-ylamino)cyclohexa-1,3-dien-1-ol
CID 168199391
2-[(1Z)-1,4,4-triamino-3-piperazin-1-ylbuta-1,3-dienyl]cyclohexa-1,3-dien-1-ol
CID 168968776
6-Amino-2-piperazin-1-ylcyclohexa-1,3-dien-1-ol
CID 176132453
6-Amino-2-(piperazin-1-ylmethyl)cyclohexa-1,3-dien-1-ol
CID 176132473
(3Z,5Z)-4-piperazin-1-ylocta-3,5,7-trien-3-ol
CID 143561889

Frequently Asked Questions

What is the IUPAC name of 3-piperazin-1-ylcyclohexa-1,3-dien-1-ol?
The IUPAC name of 3-piperazin-1-ylcyclohexa-1,3-dien-1-ol (CID 143618271) is 3-piperazin-1-ylcyclohexa-1,3-dien-1-ol.
What is the SMILES notation for 3-piperazin-1-ylcyclohexa-1,3-dien-1-ol?
The canonical SMILES for 3-piperazin-1-ylcyclohexa-1,3-dien-1-ol is OC1=CC(N2CCNCC2)=CCC1.
What is the InChIKey of 3-piperazin-1-ylcyclohexa-1,3-dien-1-ol?
The InChIKey is JPODBBXPTLJVMB-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16N2O/c13-10-3-1-2-9(8-10)12-6-4-11-5-7-12/h2,8,11,13H,1,3-7H2.
What are the key properties of 3-piperazin-1-ylcyclohexa-1,3-dien-1-ol?
3-piperazin-1-ylcyclohexa-1,3-dien-1-ol has a molecular weight of 180.25 g/mol, XLogP of 1.01, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-piperazin-1-ylcyclohexa-1,3-dien-1-ol is sourced from PubChem (CID 143618271), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).