1-[1-(6-ethenylcyclohepta-1,3,6-trien-1-yl)-2-piperazin-1-ylethyl]cyclohexan-1-ol

C21H32N2O — CID 143037017

IUPAC1-[1-(6-ethenylcyclohepta-1,3,6-trien-1-yl)-2-piperazin-1-ylethyl]cyclohexan-1-ol
SMILESC=CC1=CC(C(CN2CCNCC2)C2(O)CCCCC2)=CC=CC1
InChIInChI=1S/C21H32N2O/c1-2-18-8-4-5-9-19(16-18)20(17-23-14-12-22-13-15-23)21(24)10-6-3-7-11-21/h2,4-5,9,16,20,22,24H,1,3,6-8,10-15,17H2
InChIKeyQKSBWJRQBATEGO-UHFFFAOYSA-N
MW328.50 g/mol
LogP3.20
Rot. Bonds5

About 1-[1-(6-ethenylcyclohepta-1,3,6-trien-1-yl)-2-piperazin-1-ylethyl]cyclohexan-1-ol

1-[1-(6-ethenylcyclohepta-1,3,6-trien-1-yl)-2-piperazin-1-ylethyl]cyclohexan-1-ol (PubChem CID 143037017) has the molecular formula C21H32N2O and a molecular weight of 328.50 g/mol. Its IUPAC name is 1-[1-(6-ethenylcyclohepta-1,3,6-trien-1-yl)-2-piperazin-1-ylethyl]cyclohexan-1-ol.

Molecular Properties

Compound Name1-[1-(6-ethenylcyclohepta-1,3,6-trien-1-yl)-2-piperazin-1-ylethyl]cyclohexan-1-ol
PubChem CID143037017
Molecular FormulaC21H32N2O
Molecular Weight328.50 g/mol
Exact Mass328.25
IUPAC Name1-[1-(6-ethenylcyclohepta-1,3,6-trien-1-yl)-2-piperazin-1-ylethyl]cyclohexan-1-ol
SMILESC=CC1=CC(C(CN2CCNCC2)C2(O)CCCCC2)=CC=CC1
InChIInChI=1S/C21H32N2O/c1-2-18-8-4-5-9-19(16-18)20(17-23-14-12-22-13-15-23)21(24)10-6-3-7-11-21/h2,4-5,9,16,20,22,24H,1,3,6-8,10-15,17H2
InChIKeyQKSBWJRQBATEGO-UHFFFAOYSA-N
XLogP3.20
TPSA35.50 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.50
LogP ≤ 53.20
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 1-[1-(6-ethenylcyclohepta-1,3,6-trien-1-yl)-2-piperazin-1-ylethyl]cyclohexan-1-ol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

4-(Cyclohepta-1,3-dien-1-ylmethyl)piperidin-4-ol
CID 91096213
4-(Cyclohexa-1,3-dien-1-ylmethyl)piperidin-4-ol
CID 123461502
1-[(E,3Z)-6-chloro-4-methylidene-1-piperazin-1-yl-3-(prop-2-enylsulfanylmethylidene)oct-5-en-2-yl]cyclohexan-1-ol
CID 143036735
1-[(E,3E)-3-[[methyl-[(2E)-penta-2,4-dien-2-yl]amino]methylidene]-1-piperazin-1-ylhex-4-en-2-yl]cyclohexan-1-ol
CID 143036755
1-[1-[(1E,6E)-3-methyl-8-azabicyclo[5.3.1]undeca-1,6,9-trien-10-yl]-2-piperazin-1-ylethyl]cyclohexan-1-ol
CID 143036770
1-[1-(6-methyl-2H-thiopyran-5-yl)-2-piperazin-1-ylethyl]cyclohexan-1-ol
CID 143037008
1-[1-[(4Z,5E)-4,5-di(ethylidene)-1H-pyrrol-3-yl]-2-piperazin-1-ylethyl]cyclohexan-1-ol
CID 143037756
ethane;1-[1-[(4Z,5E)-5-ethylidene-1-methyl-4-propylidenepyrrol-3-yl]-2-piperazin-1-ylethyl]cyclohexan-1-ol
CID 143037766
1-Cyclohepta-2,4,6-trien-1-yl-5-methyl-1-piperidin-3-ylheptan-1-ol
CID 143215225
4-(3-Cyclohepta-1,4,6-trien-1-ylpropyl)piperidin-4-ol;ethane;pentane;prop-1-ene
CID 144056536
1-[1-(3-Chlorocyclohexa-2,4-dien-1-yl)-2-piperazin-1-ylethyl]cyclohexan-1-ol
CID 163459898
(2S,3Z,6R,7E,11S)-11-(1-hydroxycyclohexyl)-2,6,7,11-tetramethyl-12-piperazin-1-yldodeca-3,7-dienenitrile
CID 163671935

Frequently Asked Questions

What is the IUPAC name of 1-[1-(6-ethenylcyclohepta-1,3,6-trien-1-yl)-2-piperazin-1-ylethyl]cyclohexan-1-ol?
The IUPAC name of 1-[1-(6-ethenylcyclohepta-1,3,6-trien-1-yl)-2-piperazin-1-ylethyl]cyclohexan-1-ol (CID 143037017) is 1-[1-(6-ethenylcyclohepta-1,3,6-trien-1-yl)-2-piperazin-1-ylethyl]cyclohexan-1-ol.
What is the SMILES notation for 1-[1-(6-ethenylcyclohepta-1,3,6-trien-1-yl)-2-piperazin-1-ylethyl]cyclohexan-1-ol?
The canonical SMILES for 1-[1-(6-ethenylcyclohepta-1,3,6-trien-1-yl)-2-piperazin-1-ylethyl]cyclohexan-1-ol is C=CC1=CC(C(CN2CCNCC2)C2(O)CCCCC2)=CC=CC1.
What is the InChIKey of 1-[1-(6-ethenylcyclohepta-1,3,6-trien-1-yl)-2-piperazin-1-ylethyl]cyclohexan-1-ol?
The InChIKey is QKSBWJRQBATEGO-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H32N2O/c1-2-18-8-4-5-9-19(16-18)20(17-23-14-12-22-13-15-23)21(24)10-6-3-7-11-21/h2,4-5,9,16,20,22,24H,1,3,6-8,10-15,17H2.
What are the key properties of 1-[1-(6-ethenylcyclohepta-1,3,6-trien-1-yl)-2-piperazin-1-ylethyl]cyclohexan-1-ol?
1-[1-(6-ethenylcyclohepta-1,3,6-trien-1-yl)-2-piperazin-1-ylethyl]cyclohexan-1-ol has a molecular weight of 328.50 g/mol, XLogP of 3.20, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-(6-ethenylcyclohepta-1,3,6-trien-1-yl)-2-piperazin-1-ylethyl]cyclohexan-1-ol is sourced from PubChem (CID 143037017), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).