1-[(3E)-6-aminohexa-1,3-dien-3-yl]piperidin-2-ol

C11H20N2O — CID 89154049

IUPAC1-[(3E)-6-aminohexa-1,3-dien-3-yl]piperidin-2-ol
SMILESC=C/C(=C\CCN)N1CCCCC1O
InChIInChI=1S/C11H20N2O/c1-2-10(6-5-8-12)13-9-4-3-7-11(13)14/h2,6,11,14H,1,3-5,7-9,12H2/b10-6+
InChIKeyKEZBWNLGCXBBJT-UXBLZVDNSA-N
MW196.29 g/mol
LogP1.21
Rot. Bonds4

About 1-[(3E)-6-aminohexa-1,3-dien-3-yl]piperidin-2-ol

1-[(3E)-6-aminohexa-1,3-dien-3-yl]piperidin-2-ol (PubChem CID 89154049) has the molecular formula C11H20N2O and a molecular weight of 196.29 g/mol. Its IUPAC name is 1-[(3E)-6-aminohexa-1,3-dien-3-yl]piperidin-2-ol.

Molecular Properties

Compound Name1-[(3E)-6-aminohexa-1,3-dien-3-yl]piperidin-2-ol
PubChem CID89154049
Molecular FormulaC11H20N2O
Molecular Weight196.29 g/mol
Exact Mass196.16
IUPAC Name1-[(3E)-6-aminohexa-1,3-dien-3-yl]piperidin-2-ol
SMILESC=C/C(=C\CCN)N1CCCCC1O
InChIInChI=1S/C11H20N2O/c1-2-10(6-5-8-12)13-9-4-3-7-11(13)14/h2,6,11,14H,1,3-5,7-9,12H2/b10-6+
InChIKeyKEZBWNLGCXBBJT-UXBLZVDNSA-N
XLogP1.21
TPSA49.49 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500196.29
LogP ≤ 51.21
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 1-[(3E)-6-aminohexa-1,3-dien-3-yl]piperidin-2-ol 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 1-[(3E)-6-aminohexa-1,3-dien-3-yl]piperidin-2-ol?
The IUPAC name of 1-[(3E)-6-aminohexa-1,3-dien-3-yl]piperidin-2-ol (CID 89154049) is 1-[(3E)-6-aminohexa-1,3-dien-3-yl]piperidin-2-ol.
What is the SMILES notation for 1-[(3E)-6-aminohexa-1,3-dien-3-yl]piperidin-2-ol?
The canonical SMILES for 1-[(3E)-6-aminohexa-1,3-dien-3-yl]piperidin-2-ol is C=C/C(=C\CCN)N1CCCCC1O.
What is the InChIKey of 1-[(3E)-6-aminohexa-1,3-dien-3-yl]piperidin-2-ol?
The InChIKey is KEZBWNLGCXBBJT-UXBLZVDNSA-N. The full InChI is InChI=1S/C11H20N2O/c1-2-10(6-5-8-12)13-9-4-3-7-11(13)14/h2,6,11,14H,1,3-5,7-9,12H2/b10-6+.
What are the key properties of 1-[(3E)-6-aminohexa-1,3-dien-3-yl]piperidin-2-ol?
1-[(3E)-6-aminohexa-1,3-dien-3-yl]piperidin-2-ol has a molecular weight of 196.29 g/mol, XLogP of 1.21, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(3E)-6-aminohexa-1,3-dien-3-yl]piperidin-2-ol is sourced from PubChem (CID 89154049), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).