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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Related Compounds

4-[2-(Trifluoromethyl)cyclohexa-1,5-dien-1-yl]oxypiperidine
CID 142028547
4-Cyclohexa-1,5-dien-1-yloxy-3,3-difluoropiperidine;ethane
CID 142380154
4-[(4-Fluorocyclohexa-1,3-dien-1-yl)methoxy]piperidine
CID 164543507
1-Ethyl-4-(5-fluoro-7-methylcyclohepta-1,4,6-trien-1-yl)oxypiperidine
CID 143502855
4-[5-Methyl-3-(trifluoromethyl)cyclohexa-2,4-dien-1-yl]oxypiperidine
CID 162578474
3-cyclohexa-1,5-dien-1-yl-3-methoxy-N-methylpropan-1-amine
CID 68082938
4-Piperidin-4-yloxycyclohexa-2,4-dien-1-amine
CID 68211950
2-[(E)-hex-3-en-3-yl]morpholine
CID 68590550
2-Hex-3-en-3-ylmorpholine
CID 68590552
4-(5-Methylcyclohepta-1,3,6-trien-1-yl)oxypiperidine
CID 70917166
4-[(3E,5Z)-hepta-1,3,5-trien-4-yl]oxypiperidine
CID 88582834
4-[(4Z)-2-methylhepta-2,4,6-trien-3-yl]oxypiperidine
CID 89134703

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).