1-[(3E)-hexa-1,3,5-trien-3-yl]-3-propan-2-ylpiperidine

C14H23N — CID 142531908

IUPAC1-[(3E)-hexa-1,3,5-trien-3-yl]-3-propan-2-ylpiperidine
SMILESC=C/C=C(\C=C)N1CCCC(C(C)C)C1
InChIInChI=1S/C14H23N/c1-5-8-14(6-2)15-10-7-9-13(11-15)12(3)4/h5-6,8,12-13H,1-2,7,9-11H2,3-4H3/b14-8+
InChIKeyJENRUSOTEMRIKG-RIYZIHGNSA-N
MW205.34 g/mol
LogP3.61
Rot. Bonds4

About 1-[(3E)-hexa-1,3,5-trien-3-yl]-3-propan-2-ylpiperidine

1-[(3E)-hexa-1,3,5-trien-3-yl]-3-propan-2-ylpiperidine (PubChem CID 142531908) has the molecular formula C14H23N and a molecular weight of 205.34 g/mol. Its IUPAC name is 1-[(3E)-hexa-1,3,5-trien-3-yl]-3-propan-2-ylpiperidine.

Molecular Properties

Compound Name1-[(3E)-hexa-1,3,5-trien-3-yl]-3-propan-2-ylpiperidine
PubChem CID142531908
Molecular FormulaC14H23N
Molecular Weight205.34 g/mol
Exact Mass205.18
IUPAC Name1-[(3E)-hexa-1,3,5-trien-3-yl]-3-propan-2-ylpiperidine
SMILESC=C/C=C(\C=C)N1CCCC(C(C)C)C1
InChIInChI=1S/C14H23N/c1-5-8-14(6-2)15-10-7-9-13(11-15)12(3)4/h5-6,8,12-13H,1-2,7,9-11H2,3-4H3/b14-8+
InChIKeyJENRUSOTEMRIKG-RIYZIHGNSA-N
XLogP3.61
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500205.34
LogP ≤ 53.61
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze 1-[(3E)-hexa-1,3,5-trien-3-yl]-3-propan-2-ylpiperidine 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)-hexa-1,3,5-trien-3-yl]-3-propan-2-ylpiperidine?
The IUPAC name of 1-[(3E)-hexa-1,3,5-trien-3-yl]-3-propan-2-ylpiperidine (CID 142531908) is 1-[(3E)-hexa-1,3,5-trien-3-yl]-3-propan-2-ylpiperidine.
What is the SMILES notation for 1-[(3E)-hexa-1,3,5-trien-3-yl]-3-propan-2-ylpiperidine?
The canonical SMILES for 1-[(3E)-hexa-1,3,5-trien-3-yl]-3-propan-2-ylpiperidine is C=C/C=C(\C=C)N1CCCC(C(C)C)C1.
What is the InChIKey of 1-[(3E)-hexa-1,3,5-trien-3-yl]-3-propan-2-ylpiperidine?
The InChIKey is JENRUSOTEMRIKG-RIYZIHGNSA-N. The full InChI is InChI=1S/C14H23N/c1-5-8-14(6-2)15-10-7-9-13(11-15)12(3)4/h5-6,8,12-13H,1-2,7,9-11H2,3-4H3/b14-8+.
What are the key properties of 1-[(3E)-hexa-1,3,5-trien-3-yl]-3-propan-2-ylpiperidine?
1-[(3E)-hexa-1,3,5-trien-3-yl]-3-propan-2-ylpiperidine has a molecular weight of 205.34 g/mol, XLogP of 3.61, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(3E)-hexa-1,3,5-trien-3-yl]-3-propan-2-ylpiperidine is sourced from PubChem (CID 142531908), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).