1-[(2E,4Z)-2-ethenylhexa-2,4-dienyl]-3-methoxypiperidine

C14H23NO — CID 145145582

IUPAC1-[(2E,4Z)-2-ethenylhexa-2,4-dienyl]-3-methoxypiperidine
SMILESC=C/C(=C\C=C/C)CN1CCCC(OC)C1
InChIInChI=1S/C14H23NO/c1-4-6-8-13(5-2)11-15-10-7-9-14(12-15)16-3/h4-6,8,14H,2,7,9-12H2,1,3H3/b6-4-,13-8+
InChIKeyANCWUIKUQBYMTF-RUMQPUKBSA-N
MW221.34 g/mol
LogP2.79
Rot. Bonds5

About 1-[(2E,4Z)-2-ethenylhexa-2,4-dienyl]-3-methoxypiperidine

1-[(2E,4Z)-2-ethenylhexa-2,4-dienyl]-3-methoxypiperidine (PubChem CID 145145582) has the molecular formula C14H23NO and a molecular weight of 221.34 g/mol. Its IUPAC name is 1-[(2E,4Z)-2-ethenylhexa-2,4-dienyl]-3-methoxypiperidine.

Molecular Properties

Compound Name1-[(2E,4Z)-2-ethenylhexa-2,4-dienyl]-3-methoxypiperidine
PubChem CID145145582
Molecular FormulaC14H23NO
Molecular Weight221.34 g/mol
Exact Mass221.18
IUPAC Name1-[(2E,4Z)-2-ethenylhexa-2,4-dienyl]-3-methoxypiperidine
SMILESC=C/C(=C\C=C/C)CN1CCCC(OC)C1
InChIInChI=1S/C14H23NO/c1-4-6-8-13(5-2)11-15-10-7-9-14(12-15)16-3/h4-6,8,14H,2,7,9-12H2,1,3H3/b6-4-,13-8+
InChIKeyANCWUIKUQBYMTF-RUMQPUKBSA-N
XLogP2.79
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.34
LogP ≤ 52.79
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

1-[(E)-4,4-dimethylpent-2-enyl]-3-methoxypiperidine
CID 21060156
(2R)-4-(cyclohexa-1,3-dien-1-ylmethyl)-2-ethylmorpholine
CID 117906528
4-(2-Ethenylbut-2-enyl)morpholine
CID 123874717
1-[(E)-but-2-enyl]-3-methoxypiperidine
CID 131232613
2-ethyl-4-[(2E)-2-[(Z)-prop-1-enyl]penta-2,4-dienyl]morpholine
CID 142862880
ethane;4-methoxy-1-[(Z)-2-methylidenepent-3-enyl]piperidine
CID 142999628
ethane;4-[(E)-2-ethenylbut-2-enyl]-2-methylmorpholine
CID 143639610
4-[(2E)-2-ethenyl-5-methylhexa-2,4-dienyl]morpholine
CID 144594985
4-[(E)-2-ethenylbut-2-enyl]morpholine
CID 146259265
ethane;2-[(2Z)-2-ethenylpenta-2,4-dienyl]-4-methylmorpholine
CID 153329604
2-(2,2-dimethylpropyl)-4-[(Z,2E)-2-ethylidenepent-3-enyl]morpholine
CID 156381458
1-[(2E)-2-ethenylpenta-2,4-dienyl]-4-methoxypiperidine
CID 156793582

Frequently Asked Questions

What is the IUPAC name of 1-[(2E,4Z)-2-ethenylhexa-2,4-dienyl]-3-methoxypiperidine?
The IUPAC name of 1-[(2E,4Z)-2-ethenylhexa-2,4-dienyl]-3-methoxypiperidine (CID 145145582) is 1-[(2E,4Z)-2-ethenylhexa-2,4-dienyl]-3-methoxypiperidine.
What is the SMILES notation for 1-[(2E,4Z)-2-ethenylhexa-2,4-dienyl]-3-methoxypiperidine?
The canonical SMILES for 1-[(2E,4Z)-2-ethenylhexa-2,4-dienyl]-3-methoxypiperidine is C=C/C(=C\C=C/C)CN1CCCC(OC)C1.
What is the InChIKey of 1-[(2E,4Z)-2-ethenylhexa-2,4-dienyl]-3-methoxypiperidine?
The InChIKey is ANCWUIKUQBYMTF-RUMQPUKBSA-N. The full InChI is InChI=1S/C14H23NO/c1-4-6-8-13(5-2)11-15-10-7-9-14(12-15)16-3/h4-6,8,14H,2,7,9-12H2,1,3H3/b6-4-,13-8+.
What are the key properties of 1-[(2E,4Z)-2-ethenylhexa-2,4-dienyl]-3-methoxypiperidine?
1-[(2E,4Z)-2-ethenylhexa-2,4-dienyl]-3-methoxypiperidine has a molecular weight of 221.34 g/mol, XLogP of 2.79, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2E,4Z)-2-ethenylhexa-2,4-dienyl]-3-methoxypiperidine is sourced from PubChem (CID 145145582), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).