4-[(1E,4Z)-5-methylcycloocta-1,4,7-trien-1-yl]oxypiperidine

C14H21NO — CID 143115624

IUPAC4-[(1E,4Z)-5-methylcycloocta-1,4,7-trien-1-yl]oxypiperidine
SMILESC/C1=C/C/C=C(/OC2CCNCC2)C=CC1
InChIInChI=1S/C14H21NO/c1-12-4-2-6-13(7-3-5-12)16-14-8-10-15-11-9-14/h2,5-7,14-15H,3-4,8-11H2,1H3/b6-2?,12-5-,13-7+
InChIKeyCDNXWTKNUHPEGL-QRRFEDFDSA-N
MW219.33 g/mol
LogP2.94
Rot. Bonds2

About 4-[(1E,4Z)-5-methylcycloocta-1,4,7-trien-1-yl]oxypiperidine

4-[(1E,4Z)-5-methylcycloocta-1,4,7-trien-1-yl]oxypiperidine (PubChem CID 143115624) has the molecular formula C14H21NO and a molecular weight of 219.33 g/mol. Its IUPAC name is 4-[(1E,4Z)-5-methylcycloocta-1,4,7-trien-1-yl]oxypiperidine.

Molecular Properties

Compound Name4-[(1E,4Z)-5-methylcycloocta-1,4,7-trien-1-yl]oxypiperidine
PubChem CID143115624
Molecular FormulaC14H21NO
Molecular Weight219.33 g/mol
Exact Mass219.16
IUPAC Name4-[(1E,4Z)-5-methylcycloocta-1,4,7-trien-1-yl]oxypiperidine
SMILESC/C1=C/C/C=C(/OC2CCNCC2)C=CC1
InChIInChI=1S/C14H21NO/c1-12-4-2-6-13(7-3-5-12)16-14-8-10-15-11-9-14/h2,5-7,14-15H,3-4,8-11H2,1H3/b6-2?,12-5-,13-7+
InChIKeyCDNXWTKNUHPEGL-QRRFEDFDSA-N
XLogP2.94
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.33
LogP ≤ 52.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 4-[(1E,4Z)-5-methylcycloocta-1,4,7-trien-1-yl]oxypiperidine?
The IUPAC name of 4-[(1E,4Z)-5-methylcycloocta-1,4,7-trien-1-yl]oxypiperidine (CID 143115624) is 4-[(1E,4Z)-5-methylcycloocta-1,4,7-trien-1-yl]oxypiperidine.
What is the SMILES notation for 4-[(1E,4Z)-5-methylcycloocta-1,4,7-trien-1-yl]oxypiperidine?
The canonical SMILES for 4-[(1E,4Z)-5-methylcycloocta-1,4,7-trien-1-yl]oxypiperidine is C/C1=C/C/C=C(/OC2CCNCC2)C=CC1.
What is the InChIKey of 4-[(1E,4Z)-5-methylcycloocta-1,4,7-trien-1-yl]oxypiperidine?
The InChIKey is CDNXWTKNUHPEGL-QRRFEDFDSA-N. The full InChI is InChI=1S/C14H21NO/c1-12-4-2-6-13(7-3-5-12)16-14-8-10-15-11-9-14/h2,5-7,14-15H,3-4,8-11H2,1H3/b6-2?,12-5-,13-7+.
What are the key properties of 4-[(1E,4Z)-5-methylcycloocta-1,4,7-trien-1-yl]oxypiperidine?
4-[(1E,4Z)-5-methylcycloocta-1,4,7-trien-1-yl]oxypiperidine has a molecular weight of 219.33 g/mol, XLogP of 2.94, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(1E,4Z)-5-methylcycloocta-1,4,7-trien-1-yl]oxypiperidine is sourced from PubChem (CID 143115624), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).