4-methoxy-1-[(2E,4Z)-7-methylocta-2,4-dien-3-yl]piperidine

C15H27NO — CID 144808679

IUPAC4-methoxy-1-[(2E,4Z)-7-methylocta-2,4-dien-3-yl]piperidine
SMILESC/C=C(\C=C/CC(C)C)N1CCC(OC)CC1
InChIInChI=1S/C15H27NO/c1-5-14(8-6-7-13(2)3)16-11-9-15(17-4)10-12-16/h5-6,8,13,15H,7,9-12H2,1-4H3/b8-6-,14-5+
InChIKeyKSDUTHWXBMIOAX-QIIRRSOFSA-N
MW237.39 g/mol
LogP3.60
Rot. Bonds5

About 4-methoxy-1-[(2E,4Z)-7-methylocta-2,4-dien-3-yl]piperidine

4-methoxy-1-[(2E,4Z)-7-methylocta-2,4-dien-3-yl]piperidine (PubChem CID 144808679) has the molecular formula C15H27NO and a molecular weight of 237.39 g/mol. Its IUPAC name is 4-methoxy-1-[(2E,4Z)-7-methylocta-2,4-dien-3-yl]piperidine.

Molecular Properties

Compound Name4-methoxy-1-[(2E,4Z)-7-methylocta-2,4-dien-3-yl]piperidine
PubChem CID144808679
Molecular FormulaC15H27NO
Molecular Weight237.39 g/mol
Exact Mass237.21
IUPAC Name4-methoxy-1-[(2E,4Z)-7-methylocta-2,4-dien-3-yl]piperidine
SMILESC/C=C(\C=C/CC(C)C)N1CCC(OC)CC1
InChIInChI=1S/C15H27NO/c1-5-14(8-6-7-13(2)3)16-11-9-15(17-4)10-12-16/h5-6,8,13,15H,7,9-12H2,1-4H3/b8-6-,14-5+
InChIKeyKSDUTHWXBMIOAX-QIIRRSOFSA-N
XLogP3.60
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.39
LogP ≤ 53.60
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 4-methoxy-1-[(2E,4Z)-7-methylocta-2,4-dien-3-yl]piperidine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-(3-Methoxy-4-methylcyclohexa-1,5-dien-1-yl)-4-methylpiperidine
CID 71286534
4-[(3E)-5-methylocta-1,3-dien-4-yl]morpholine
CID 89085950
1-buta-1,3-dien-2-yl-4-[(E)-pent-2-en-2-yl]oxypiperidine
CID 132126955
ethane;4-methoxy-1-[(Z)-2-methylidenepent-3-enyl]piperidine
CID 142999628
1-[(2S,3Z,5Z)-hepta-3,5-dien-2-yl]-4-methoxypiperidine
CID 144185950
1-ethyl-6-[(2S)-4-methoxybutan-2-yl]-2H-pyridine
CID 145166332
1-[(4E,6E)-2-methyldeca-2,4,6-trien-5-yl]piperidin-4-ol
CID 156421147
(1E,3Z,5Z)-2-(4-methoxypiperidin-1-yl)-5-propan-2-ylhepta-1,3,5-trien-1-amine
CID 166682670
1-(Cyclohexa-1,5-dien-1-ylmethyl)-4-methoxypiperidine
CID 173522318
4-methoxy-1-[(3E)-6-methylhepta-1,3,5-trien-3-yl]piperidine
CID 142562572
4-methoxy-1-[(Z)-2-methylidenepent-3-enyl]piperidine
CID 142999629

Frequently Asked Questions

What is the IUPAC name of 4-methoxy-1-[(2E,4Z)-7-methylocta-2,4-dien-3-yl]piperidine?
The IUPAC name of 4-methoxy-1-[(2E,4Z)-7-methylocta-2,4-dien-3-yl]piperidine (CID 144808679) is 4-methoxy-1-[(2E,4Z)-7-methylocta-2,4-dien-3-yl]piperidine.
What is the SMILES notation for 4-methoxy-1-[(2E,4Z)-7-methylocta-2,4-dien-3-yl]piperidine?
The canonical SMILES for 4-methoxy-1-[(2E,4Z)-7-methylocta-2,4-dien-3-yl]piperidine is C/C=C(\C=C/CC(C)C)N1CCC(OC)CC1.
What is the InChIKey of 4-methoxy-1-[(2E,4Z)-7-methylocta-2,4-dien-3-yl]piperidine?
The InChIKey is KSDUTHWXBMIOAX-QIIRRSOFSA-N. The full InChI is InChI=1S/C15H27NO/c1-5-14(8-6-7-13(2)3)16-11-9-15(17-4)10-12-16/h5-6,8,13,15H,7,9-12H2,1-4H3/b8-6-,14-5+.
What are the key properties of 4-methoxy-1-[(2E,4Z)-7-methylocta-2,4-dien-3-yl]piperidine?
4-methoxy-1-[(2E,4Z)-7-methylocta-2,4-dien-3-yl]piperidine has a molecular weight of 237.39 g/mol, XLogP of 3.60, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methoxy-1-[(2E,4Z)-7-methylocta-2,4-dien-3-yl]piperidine is sourced from PubChem (CID 144808679), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).