1-[3-[(3E,5Z)-8-piperidin-1-ylocta-3,5-dien-3-yl]oxypropyl]-3,6-dihydro-2H-pyridine

C21H36N2O — CID 142009192

IUPAC1-[3-[(3E,5Z)-8-piperidin-1-ylocta-3,5-dien-3-yl]oxypropyl]-3,6-dihydro-2H-pyridine
SMILESCC/C(=C\C=C/CCN1CCCCC1)OCCCN1CC=CCC1
InChIInChI=1S/C21H36N2O/c1-2-21(24-20-12-19-23-17-10-5-11-18-23)13-6-3-7-14-22-15-8-4-9-16-22/h3,5-6,10,13H,2,4,7-9,11-12,14-20H2,1H3/b6-3-,21-13+
InChIKeyMDAOVPVKEXLKFP-BYMMXNDZSA-N
MW332.53 g/mol
LogP4.38
Rot. Bonds10

About 1-[3-[(3E,5Z)-8-piperidin-1-ylocta-3,5-dien-3-yl]oxypropyl]-3,6-dihydro-2H-pyridine

1-[3-[(3E,5Z)-8-piperidin-1-ylocta-3,5-dien-3-yl]oxypropyl]-3,6-dihydro-2H-pyridine (PubChem CID 142009192) has the molecular formula C21H36N2O and a molecular weight of 332.53 g/mol. Its IUPAC name is 1-[3-[(3E,5Z)-8-piperidin-1-ylocta-3,5-dien-3-yl]oxypropyl]-3,6-dihydro-2H-pyridine.

Molecular Properties

Compound Name1-[3-[(3E,5Z)-8-piperidin-1-ylocta-3,5-dien-3-yl]oxypropyl]-3,6-dihydro-2H-pyridine
PubChem CID142009192
Molecular FormulaC21H36N2O
Molecular Weight332.53 g/mol
Exact Mass332.28
IUPAC Name1-[3-[(3E,5Z)-8-piperidin-1-ylocta-3,5-dien-3-yl]oxypropyl]-3,6-dihydro-2H-pyridine
SMILESCC/C(=C\C=C/CCN1CCCCC1)OCCCN1CC=CCC1
InChIInChI=1S/C21H36N2O/c1-2-21(24-20-12-19-23-17-10-5-11-18-23)13-6-3-7-14-22-15-8-4-9-16-22/h3,5-6,10,13H,2,4,7-9,11-12,14-20H2,1H3/b6-3-,21-13+
InChIKeyMDAOVPVKEXLKFP-BYMMXNDZSA-N
XLogP4.38
TPSA15.71 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds10
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.53
LogP ≤ 54.38
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1-[3-[(3E,5Z)-8-piperidin-1-ylocta-3,5-dien-3-yl]oxypropyl]-3,6-dihydro-2H-pyridine?
The IUPAC name of 1-[3-[(3E,5Z)-8-piperidin-1-ylocta-3,5-dien-3-yl]oxypropyl]-3,6-dihydro-2H-pyridine (CID 142009192) is 1-[3-[(3E,5Z)-8-piperidin-1-ylocta-3,5-dien-3-yl]oxypropyl]-3,6-dihydro-2H-pyridine.
What is the SMILES notation for 1-[3-[(3E,5Z)-8-piperidin-1-ylocta-3,5-dien-3-yl]oxypropyl]-3,6-dihydro-2H-pyridine?
The canonical SMILES for 1-[3-[(3E,5Z)-8-piperidin-1-ylocta-3,5-dien-3-yl]oxypropyl]-3,6-dihydro-2H-pyridine is CC/C(=C\C=C/CCN1CCCCC1)OCCCN1CC=CCC1.
What is the InChIKey of 1-[3-[(3E,5Z)-8-piperidin-1-ylocta-3,5-dien-3-yl]oxypropyl]-3,6-dihydro-2H-pyridine?
The InChIKey is MDAOVPVKEXLKFP-BYMMXNDZSA-N. The full InChI is InChI=1S/C21H36N2O/c1-2-21(24-20-12-19-23-17-10-5-11-18-23)13-6-3-7-14-22-15-8-4-9-16-22/h3,5-6,10,13H,2,4,7-9,11-12,14-20H2,1H3/b6-3-,21-13+.
What are the key properties of 1-[3-[(3E,5Z)-8-piperidin-1-ylocta-3,5-dien-3-yl]oxypropyl]-3,6-dihydro-2H-pyridine?
1-[3-[(3E,5Z)-8-piperidin-1-ylocta-3,5-dien-3-yl]oxypropyl]-3,6-dihydro-2H-pyridine has a molecular weight of 332.53 g/mol, XLogP of 4.38, 10 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-[(3E,5Z)-8-piperidin-1-ylocta-3,5-dien-3-yl]oxypropyl]-3,6-dihydro-2H-pyridine is sourced from PubChem (CID 142009192), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).