2-[4-[4-[(3Z)-penta-1,3-dien-2-yl]piperazin-1-yl]butylamino]ethanol

C15H29N3O — CID 172590096

IUPAC2-[4-[4-[(3Z)-penta-1,3-dien-2-yl]piperazin-1-yl]butylamino]ethanol
SMILESC=C(/C=C\C)N1CCN(CCCCNCCO)CC1
InChIInChI=1S/C15H29N3O/c1-3-6-15(2)18-12-10-17(11-13-18)9-5-4-7-16-8-14-19/h3,6,16,19H,2,4-5,7-14H2,1H3/b6-3-
InChIKeyWUNPJENEMFBSJV-UTCJRWHESA-N
MW267.42 g/mol
LogP1.06
Rot. Bonds9

About 2-[4-[4-[(3Z)-penta-1,3-dien-2-yl]piperazin-1-yl]butylamino]ethanol

2-[4-[4-[(3Z)-penta-1,3-dien-2-yl]piperazin-1-yl]butylamino]ethanol (PubChem CID 172590096) has the molecular formula C15H29N3O and a molecular weight of 267.42 g/mol. Its IUPAC name is 2-[4-[4-[(3Z)-penta-1,3-dien-2-yl]piperazin-1-yl]butylamino]ethanol.

Molecular Properties

Compound Name2-[4-[4-[(3Z)-penta-1,3-dien-2-yl]piperazin-1-yl]butylamino]ethanol
PubChem CID172590096
Molecular FormulaC15H29N3O
Molecular Weight267.42 g/mol
Exact Mass267.23
IUPAC Name2-[4-[4-[(3Z)-penta-1,3-dien-2-yl]piperazin-1-yl]butylamino]ethanol
SMILESC=C(/C=C\C)N1CCN(CCCCNCCO)CC1
InChIInChI=1S/C15H29N3O/c1-3-6-15(2)18-12-10-17(11-13-18)9-5-4-7-16-8-14-19/h3,6,16,19H,2,4-5,7-14H2,1H3/b6-3-
InChIKeyWUNPJENEMFBSJV-UTCJRWHESA-N
XLogP1.06
TPSA38.74 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.42
LogP ≤ 51.06
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'polyene', 'substructure': 'N/A'}

Analyze 2-[4-[4-[(3Z)-penta-1,3-dien-2-yl]piperazin-1-yl]butylamino]ethanol with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-[4-[4-[(3Z)-penta-1,3-dien-2-yl]piperazin-1-yl]butylamino]ethanol?
The IUPAC name of 2-[4-[4-[(3Z)-penta-1,3-dien-2-yl]piperazin-1-yl]butylamino]ethanol (CID 172590096) is 2-[4-[4-[(3Z)-penta-1,3-dien-2-yl]piperazin-1-yl]butylamino]ethanol.
What is the SMILES notation for 2-[4-[4-[(3Z)-penta-1,3-dien-2-yl]piperazin-1-yl]butylamino]ethanol?
The canonical SMILES for 2-[4-[4-[(3Z)-penta-1,3-dien-2-yl]piperazin-1-yl]butylamino]ethanol is C=C(/C=C\C)N1CCN(CCCCNCCO)CC1.
What is the InChIKey of 2-[4-[4-[(3Z)-penta-1,3-dien-2-yl]piperazin-1-yl]butylamino]ethanol?
The InChIKey is WUNPJENEMFBSJV-UTCJRWHESA-N. The full InChI is InChI=1S/C15H29N3O/c1-3-6-15(2)18-12-10-17(11-13-18)9-5-4-7-16-8-14-19/h3,6,16,19H,2,4-5,7-14H2,1H3/b6-3-.
What are the key properties of 2-[4-[4-[(3Z)-penta-1,3-dien-2-yl]piperazin-1-yl]butylamino]ethanol?
2-[4-[4-[(3Z)-penta-1,3-dien-2-yl]piperazin-1-yl]butylamino]ethanol has a molecular weight of 267.42 g/mol, XLogP of 1.06, 9 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[4-[(3Z)-penta-1,3-dien-2-yl]piperazin-1-yl]butylamino]ethanol is sourced from PubChem (CID 172590096), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).