2-[4-(4-aminocyclohexa-1,5-dien-1-yl)piperazin-1-yl]ethanol

C12H21N3O — CID 123776511

IUPAC2-[4-(4-aminocyclohexa-1,5-dien-1-yl)piperazin-1-yl]ethanol
SMILESNC1C=CC(N2CCN(CCO)CC2)=CC1
InChIInChI=1S/C12H21N3O/c13-11-1-3-12(4-2-11)15-7-5-14(6-8-15)9-10-16/h1,3-4,11,16H,2,5-10,13H2
InChIKeyNHWLECXWLCHCMR-UHFFFAOYSA-N
MW223.32 g/mol
LogP-0.23
Rot. Bonds3

About 2-[4-(4-aminocyclohexa-1,5-dien-1-yl)piperazin-1-yl]ethanol

2-[4-(4-aminocyclohexa-1,5-dien-1-yl)piperazin-1-yl]ethanol (PubChem CID 123776511) has the molecular formula C12H21N3O and a molecular weight of 223.32 g/mol. Its IUPAC name is 2-[4-(4-aminocyclohexa-1,5-dien-1-yl)piperazin-1-yl]ethanol.

Molecular Properties

Compound Name2-[4-(4-aminocyclohexa-1,5-dien-1-yl)piperazin-1-yl]ethanol
PubChem CID123776511
Molecular FormulaC12H21N3O
Molecular Weight223.32 g/mol
Exact Mass223.17
IUPAC Name2-[4-(4-aminocyclohexa-1,5-dien-1-yl)piperazin-1-yl]ethanol
SMILESNC1C=CC(N2CCN(CCO)CC2)=CC1
InChIInChI=1S/C12H21N3O/c13-11-1-3-12(4-2-11)15-7-5-14(6-8-15)9-10-16/h1,3-4,11,16H,2,5-10,13H2
InChIKeyNHWLECXWLCHCMR-UHFFFAOYSA-N
XLogP-0.23
TPSA52.73 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.32
LogP ≤ 5-0.23
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 2-[4-(4-aminocyclohexa-1,5-dien-1-yl)piperazin-1-yl]ethanol 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

2-[4-(6-Fluorocyclohexa-1,5-dien-1-yl)piperazin-1-yl]ethanol
CID 144368095
2-[4-(4-Amino-2,5-difluorocyclohexa-1,3-dien-1-yl)piperazin-1-yl]ethanol
CID 164048873
2-[7-Amino-4-(2-hydroxyethyl)-2,3,8,8a-tetrahydroquinoxalin-1-yl]ethanol;trihydrochloride
CID 67652771
2-[4-(3-Aminocyclohexa-2,4-dien-1-yl)piperazin-1-yl]ethanol
CID 68306182
4-Morpholin-4-ylcyclohexa-2,4-dien-1-amine
CID 89256480
(1R)-4-morpholin-4-ylcyclohexa-2,4-dien-1-amine
CID 89261317
[6-(Hydroxymethylidene)-4-piperazin-1-ylcyclohexa-2,4-dien-1-ylidene]methanol
CID 90743393
2-(4-Cyclohepta-1,6-dien-1-ylpiperazin-1-yl)ethanol
CID 123283428
2-[[(2E,4Z)-hepta-2,4-dien-3-yl]-[2-(methylamino)ethyl]amino]ethanol
CID 129262282
2-[(4-Aminocyclohexa-2,4-dien-1-yl)-(2-hydroxyethyl)amino]ethanol
CID 129303960
2-[4-(4-Aminocyclohexa-2,4-dien-1-yl)piperazin-1-yl]ethanol
CID 139311008
4-[4-(Oxetan-3-yl)piperazin-1-yl]cyclohexa-2,4-dien-1-amine
CID 139353708

Frequently Asked Questions

What is the IUPAC name of 2-[4-(4-aminocyclohexa-1,5-dien-1-yl)piperazin-1-yl]ethanol?
The IUPAC name of 2-[4-(4-aminocyclohexa-1,5-dien-1-yl)piperazin-1-yl]ethanol (CID 123776511) is 2-[4-(4-aminocyclohexa-1,5-dien-1-yl)piperazin-1-yl]ethanol.
What is the SMILES notation for 2-[4-(4-aminocyclohexa-1,5-dien-1-yl)piperazin-1-yl]ethanol?
The canonical SMILES for 2-[4-(4-aminocyclohexa-1,5-dien-1-yl)piperazin-1-yl]ethanol is NC1C=CC(N2CCN(CCO)CC2)=CC1.
What is the InChIKey of 2-[4-(4-aminocyclohexa-1,5-dien-1-yl)piperazin-1-yl]ethanol?
The InChIKey is NHWLECXWLCHCMR-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21N3O/c13-11-1-3-12(4-2-11)15-7-5-14(6-8-15)9-10-16/h1,3-4,11,16H,2,5-10,13H2.
What are the key properties of 2-[4-(4-aminocyclohexa-1,5-dien-1-yl)piperazin-1-yl]ethanol?
2-[4-(4-aminocyclohexa-1,5-dien-1-yl)piperazin-1-yl]ethanol has a molecular weight of 223.32 g/mol, XLogP of -0.23, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(4-aminocyclohexa-1,5-dien-1-yl)piperazin-1-yl]ethanol is sourced from PubChem (CID 123776511), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).