4-[(3E)-6-methylhepta-1,3,5-trien-3-yl]piperidine

C13H21N — CID 89292690

IUPAC4-[(3E)-6-methylhepta-1,3,5-trien-3-yl]piperidine
SMILESC=C/C(=C\C=C(C)C)C1CCNCC1
InChIInChI=1S/C13H21N/c1-4-12(6-5-11(2)3)13-7-9-14-10-8-13/h4-6,13-14H,1,7-10H2,2-3H3/b12-6+
InChIKeyQJXXEHWGVZOFPB-WUXMJOGZSA-N
MW191.32 g/mol
LogP3.06
Rot. Bonds3

About 4-[(3E)-6-methylhepta-1,3,5-trien-3-yl]piperidine

4-[(3E)-6-methylhepta-1,3,5-trien-3-yl]piperidine (PubChem CID 89292690) has the molecular formula C13H21N and a molecular weight of 191.32 g/mol. Its IUPAC name is 4-[(3E)-6-methylhepta-1,3,5-trien-3-yl]piperidine.

Molecular Properties

Compound Name4-[(3E)-6-methylhepta-1,3,5-trien-3-yl]piperidine
PubChem CID89292690
Molecular FormulaC13H21N
Molecular Weight191.32 g/mol
Exact Mass191.17
IUPAC Name4-[(3E)-6-methylhepta-1,3,5-trien-3-yl]piperidine
SMILESC=C/C(=C\C=C(C)C)C1CCNCC1
InChIInChI=1S/C13H21N/c1-4-12(6-5-11(2)3)13-7-9-14-10-8-13/h4-6,13-14H,1,7-10H2,2-3H3/b12-6+
InChIKeyQJXXEHWGVZOFPB-WUXMJOGZSA-N
XLogP3.06
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500191.32
LogP ≤ 53.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

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4-[(3E,5E)-6-fluorohepta-1,3,5-trien-3-yl]piperidin-4-amine
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4-[(E)-1-fluorohex-3-en-3-yl]piperidine
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4-(4-Fluorocyclohexa-1,5-dien-1-yl)piperidine
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4-(4-Fluorocyclohexa-1,3-dien-1-yl)piperidine
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CID 91377758

Frequently Asked Questions

What is the IUPAC name of 4-[(3E)-6-methylhepta-1,3,5-trien-3-yl]piperidine?
The IUPAC name of 4-[(3E)-6-methylhepta-1,3,5-trien-3-yl]piperidine (CID 89292690) is 4-[(3E)-6-methylhepta-1,3,5-trien-3-yl]piperidine.
What is the SMILES notation for 4-[(3E)-6-methylhepta-1,3,5-trien-3-yl]piperidine?
The canonical SMILES for 4-[(3E)-6-methylhepta-1,3,5-trien-3-yl]piperidine is C=C/C(=C\C=C(C)C)C1CCNCC1.
What is the InChIKey of 4-[(3E)-6-methylhepta-1,3,5-trien-3-yl]piperidine?
The InChIKey is QJXXEHWGVZOFPB-WUXMJOGZSA-N. The full InChI is InChI=1S/C13H21N/c1-4-12(6-5-11(2)3)13-7-9-14-10-8-13/h4-6,13-14H,1,7-10H2,2-3H3/b12-6+.
What are the key properties of 4-[(3E)-6-methylhepta-1,3,5-trien-3-yl]piperidine?
4-[(3E)-6-methylhepta-1,3,5-trien-3-yl]piperidine has a molecular weight of 191.32 g/mol, XLogP of 3.06, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(3E)-6-methylhepta-1,3,5-trien-3-yl]piperidine is sourced from PubChem (CID 89292690), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).