4-[(4E)-2,3-dimethylhexa-1,4-dien-3-yl]-1-methylpiperidine

C14H25N — CID 156796855

IUPAC4-[(4E)-2,3-dimethylhexa-1,4-dien-3-yl]-1-methylpiperidine
SMILESC=C(C)C(C)(/C=C/C)C1CCN(C)CC1
InChIInChI=1S/C14H25N/c1-6-9-14(4,12(2)3)13-7-10-15(5)11-8-13/h6,9,13H,2,7-8,10-11H2,1,3-5H3/b9-6+
InChIKeyDVHMVFSDZFYQHC-RMKNXTFCSA-N
MW207.36 g/mol
LogP3.49
Rot. Bonds3

About 4-[(4E)-2,3-dimethylhexa-1,4-dien-3-yl]-1-methylpiperidine

4-[(4E)-2,3-dimethylhexa-1,4-dien-3-yl]-1-methylpiperidine (PubChem CID 156796855) has the molecular formula C14H25N and a molecular weight of 207.36 g/mol. Its IUPAC name is 4-[(4E)-2,3-dimethylhexa-1,4-dien-3-yl]-1-methylpiperidine.

Molecular Properties

Compound Name4-[(4E)-2,3-dimethylhexa-1,4-dien-3-yl]-1-methylpiperidine
PubChem CID156796855
Molecular FormulaC14H25N
Molecular Weight207.36 g/mol
Exact Mass207.20
IUPAC Name4-[(4E)-2,3-dimethylhexa-1,4-dien-3-yl]-1-methylpiperidine
SMILESC=C(C)C(C)(/C=C/C)C1CCN(C)CC1
InChIInChI=1S/C14H25N/c1-6-9-14(4,12(2)3)13-7-10-15(5)11-8-13/h6,9,13H,2,7-8,10-11H2,1,3-5H3/b9-6+
InChIKeyDVHMVFSDZFYQHC-RMKNXTFCSA-N
XLogP3.49
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.36
LogP ≤ 53.49
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze 4-[(4E)-2,3-dimethylhexa-1,4-dien-3-yl]-1-methylpiperidine 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 4-[(4E)-2,3-dimethylhexa-1,4-dien-3-yl]-1-methylpiperidine?
The IUPAC name of 4-[(4E)-2,3-dimethylhexa-1,4-dien-3-yl]-1-methylpiperidine (CID 156796855) is 4-[(4E)-2,3-dimethylhexa-1,4-dien-3-yl]-1-methylpiperidine.
What is the SMILES notation for 4-[(4E)-2,3-dimethylhexa-1,4-dien-3-yl]-1-methylpiperidine?
The canonical SMILES for 4-[(4E)-2,3-dimethylhexa-1,4-dien-3-yl]-1-methylpiperidine is C=C(C)C(C)(/C=C/C)C1CCN(C)CC1.
What is the InChIKey of 4-[(4E)-2,3-dimethylhexa-1,4-dien-3-yl]-1-methylpiperidine?
The InChIKey is DVHMVFSDZFYQHC-RMKNXTFCSA-N. The full InChI is InChI=1S/C14H25N/c1-6-9-14(4,12(2)3)13-7-10-15(5)11-8-13/h6,9,13H,2,7-8,10-11H2,1,3-5H3/b9-6+.
What are the key properties of 4-[(4E)-2,3-dimethylhexa-1,4-dien-3-yl]-1-methylpiperidine?
4-[(4E)-2,3-dimethylhexa-1,4-dien-3-yl]-1-methylpiperidine has a molecular weight of 207.36 g/mol, XLogP of 3.49, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(4E)-2,3-dimethylhexa-1,4-dien-3-yl]-1-methylpiperidine is sourced from PubChem (CID 156796855), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).