1-[(E)-5,6-dimethoxy-2-methylidenehex-3-enyl]piperidin-4-amine

C14H26N2O2 — CID 163536028

IUPAC1-[(E)-5,6-dimethoxy-2-methylidenehex-3-enyl]piperidin-4-amine
SMILESC=C(/C=C/C(COC)OC)CN1CCC(N)CC1
InChIInChI=1S/C14H26N2O2/c1-12(4-5-14(18-3)11-17-2)10-16-8-6-13(15)7-9-16/h4-5,13-14H,1,6-11,15H2,2-3H3/b5-4+
InChIKeyDXARLBIHGOWHIC-SNAWJCMRSA-N
MW254.37 g/mol
LogP1.18
Rot. Bonds7

About 1-[(E)-5,6-dimethoxy-2-methylidenehex-3-enyl]piperidin-4-amine

1-[(E)-5,6-dimethoxy-2-methylidenehex-3-enyl]piperidin-4-amine (PubChem CID 163536028) has the molecular formula C14H26N2O2 and a molecular weight of 254.37 g/mol. Its IUPAC name is 1-[(E)-5,6-dimethoxy-2-methylidenehex-3-enyl]piperidin-4-amine.

Molecular Properties

Compound Name1-[(E)-5,6-dimethoxy-2-methylidenehex-3-enyl]piperidin-4-amine
PubChem CID163536028
Molecular FormulaC14H26N2O2
Molecular Weight254.37 g/mol
Exact Mass254.20
IUPAC Name1-[(E)-5,6-dimethoxy-2-methylidenehex-3-enyl]piperidin-4-amine
SMILESC=C(/C=C/C(COC)OC)CN1CCC(N)CC1
InChIInChI=1S/C14H26N2O2/c1-12(4-5-14(18-3)11-17-2)10-16-8-6-13(15)7-9-16/h4-5,13-14H,1,6-11,15H2,2-3H3/b5-4+
InChIKeyDXARLBIHGOWHIC-SNAWJCMRSA-N
XLogP1.18
TPSA47.72 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.37
LogP ≤ 51.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 1-[(E)-5,6-dimethoxy-2-methylidenehex-3-enyl]piperidin-4-amine 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-[(E)-5,6-dimethoxy-2-methylidenehex-3-enyl]piperidin-4-amine?
The IUPAC name of 1-[(E)-5,6-dimethoxy-2-methylidenehex-3-enyl]piperidin-4-amine (CID 163536028) is 1-[(E)-5,6-dimethoxy-2-methylidenehex-3-enyl]piperidin-4-amine.
What is the SMILES notation for 1-[(E)-5,6-dimethoxy-2-methylidenehex-3-enyl]piperidin-4-amine?
The canonical SMILES for 1-[(E)-5,6-dimethoxy-2-methylidenehex-3-enyl]piperidin-4-amine is C=C(/C=C/C(COC)OC)CN1CCC(N)CC1.
What is the InChIKey of 1-[(E)-5,6-dimethoxy-2-methylidenehex-3-enyl]piperidin-4-amine?
The InChIKey is DXARLBIHGOWHIC-SNAWJCMRSA-N. The full InChI is InChI=1S/C14H26N2O2/c1-12(4-5-14(18-3)11-17-2)10-16-8-6-13(15)7-9-16/h4-5,13-14H,1,6-11,15H2,2-3H3/b5-4+.
What are the key properties of 1-[(E)-5,6-dimethoxy-2-methylidenehex-3-enyl]piperidin-4-amine?
1-[(E)-5,6-dimethoxy-2-methylidenehex-3-enyl]piperidin-4-amine has a molecular weight of 254.37 g/mol, XLogP of 1.18, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(E)-5,6-dimethoxy-2-methylidenehex-3-enyl]piperidin-4-amine is sourced from PubChem (CID 163536028), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).