4-[(3E,5Z)-5-methylocta-3,5-dien-4-yl]oxypiperidine

C14H25NO — CID 142944388

IUPAC4-[(3E,5Z)-5-methylocta-3,5-dien-4-yl]oxypiperidine
SMILESCC/C=C(C)\C(=C/CC)OC1CCNCC1
InChIInChI=1S/C14H25NO/c1-4-6-12(3)14(7-5-2)16-13-8-10-15-11-9-13/h6-7,13,15H,4-5,8-11H2,1-3H3/b12-6-,14-7+
InChIKeyCMRHUHYAXFLVGA-GQUDHXATSA-N
MW223.36 g/mol
LogP3.41
Rot. Bonds5

About 4-[(3E,5Z)-5-methylocta-3,5-dien-4-yl]oxypiperidine

4-[(3E,5Z)-5-methylocta-3,5-dien-4-yl]oxypiperidine (PubChem CID 142944388) has the molecular formula C14H25NO and a molecular weight of 223.36 g/mol. Its IUPAC name is 4-[(3E,5Z)-5-methylocta-3,5-dien-4-yl]oxypiperidine.

Molecular Properties

Compound Name4-[(3E,5Z)-5-methylocta-3,5-dien-4-yl]oxypiperidine
PubChem CID142944388
Molecular FormulaC14H25NO
Molecular Weight223.36 g/mol
Exact Mass223.19
IUPAC Name4-[(3E,5Z)-5-methylocta-3,5-dien-4-yl]oxypiperidine
SMILESCC/C=C(C)\C(=C/CC)OC1CCNCC1
InChIInChI=1S/C14H25NO/c1-4-6-12(3)14(7-5-2)16-13-8-10-15-11-9-13/h6-7,13,15H,4-5,8-11H2,1-3H3/b12-6-,14-7+
InChIKeyCMRHUHYAXFLVGA-GQUDHXATSA-N
XLogP3.41
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.36
LogP ≤ 53.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}, {'alert_name': 'polyene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 4-[(3E,5Z)-5-methylocta-3,5-dien-4-yl]oxypiperidine?
The IUPAC name of 4-[(3E,5Z)-5-methylocta-3,5-dien-4-yl]oxypiperidine (CID 142944388) is 4-[(3E,5Z)-5-methylocta-3,5-dien-4-yl]oxypiperidine.
What is the SMILES notation for 4-[(3E,5Z)-5-methylocta-3,5-dien-4-yl]oxypiperidine?
The canonical SMILES for 4-[(3E,5Z)-5-methylocta-3,5-dien-4-yl]oxypiperidine is CC/C=C(C)\C(=C/CC)OC1CCNCC1.
What is the InChIKey of 4-[(3E,5Z)-5-methylocta-3,5-dien-4-yl]oxypiperidine?
The InChIKey is CMRHUHYAXFLVGA-GQUDHXATSA-N. The full InChI is InChI=1S/C14H25NO/c1-4-6-12(3)14(7-5-2)16-13-8-10-15-11-9-13/h6-7,13,15H,4-5,8-11H2,1-3H3/b12-6-,14-7+.
What are the key properties of 4-[(3E,5Z)-5-methylocta-3,5-dien-4-yl]oxypiperidine?
4-[(3E,5Z)-5-methylocta-3,5-dien-4-yl]oxypiperidine has a molecular weight of 223.36 g/mol, XLogP of 3.41, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(3E,5Z)-5-methylocta-3,5-dien-4-yl]oxypiperidine is sourced from PubChem (CID 142944388), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).