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

C23H42N2O — CID 142009191

IUPACethane;1-[3-[(3E,5Z)-8-piperidin-1-ylocta-3,5-dien-3-yl]oxypropyl]-3,6-dihydro-2H-pyridine
SMILESCC.CC/C(=C\C=C/CCN1CCCCC1)OCCCN1CC=CCC1
InChIInChI=1S/C21H36N2O.C2H6/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;1-2/h3,5-6,10,13H,2,4,7-9,11-12,14-20H2,1H3;1-2H3/b6-3-,21-13+;
InChIKeyRVRVNUICXSFEER-OCBLNHLASA-N
MW362.60 g/mol
LogP5.41
Rot. Bonds10

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

ethane;1-[3-[(3E,5Z)-8-piperidin-1-ylocta-3,5-dien-3-yl]oxypropyl]-3,6-dihydro-2H-pyridine (PubChem CID 142009191) has the molecular formula C23H42N2O and a molecular weight of 362.60 g/mol. Its IUPAC name is ethane;1-[3-[(3E,5Z)-8-piperidin-1-ylocta-3,5-dien-3-yl]oxypropyl]-3,6-dihydro-2H-pyridine.

Molecular Properties

Compound Nameethane;1-[3-[(3E,5Z)-8-piperidin-1-ylocta-3,5-dien-3-yl]oxypropyl]-3,6-dihydro-2H-pyridine
PubChem CID142009191
Molecular FormulaC23H42N2O
Molecular Weight362.60 g/mol
Exact Mass362.33
IUPAC Nameethane;1-[3-[(3E,5Z)-8-piperidin-1-ylocta-3,5-dien-3-yl]oxypropyl]-3,6-dihydro-2H-pyridine
SMILESCC.CC/C(=C\C=C/CCN1CCCCC1)OCCCN1CC=CCC1
InChIInChI=1S/C21H36N2O.C2H6/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;1-2/h3,5-6,10,13H,2,4,7-9,11-12,14-20H2,1H3;1-2H3/b6-3-,21-13+;
InChIKeyRVRVNUICXSFEER-OCBLNHLASA-N
XLogP5.41
TPSA15.71 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds10
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500362.60
LogP ≤ 55.41
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 ethane;1-[3-[(3E,5Z)-8-piperidin-1-ylocta-3,5-dien-3-yl]oxypropyl]-3,6-dihydro-2H-pyridine?
The IUPAC name of ethane;1-[3-[(3E,5Z)-8-piperidin-1-ylocta-3,5-dien-3-yl]oxypropyl]-3,6-dihydro-2H-pyridine (CID 142009191) is ethane;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 ethane;1-[3-[(3E,5Z)-8-piperidin-1-ylocta-3,5-dien-3-yl]oxypropyl]-3,6-dihydro-2H-pyridine?
The canonical SMILES for ethane;1-[3-[(3E,5Z)-8-piperidin-1-ylocta-3,5-dien-3-yl]oxypropyl]-3,6-dihydro-2H-pyridine is CC.CC/C(=C\C=C/CCN1CCCCC1)OCCCN1CC=CCC1.
What is the InChIKey of ethane;1-[3-[(3E,5Z)-8-piperidin-1-ylocta-3,5-dien-3-yl]oxypropyl]-3,6-dihydro-2H-pyridine?
The InChIKey is RVRVNUICXSFEER-OCBLNHLASA-N. The full InChI is InChI=1S/C21H36N2O.C2H6/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;1-2/h3,5-6,10,13H,2,4,7-9,11-12,14-20H2,1H3;1-2H3/b6-3-,21-13+;.
What are the key properties of ethane;1-[3-[(3E,5Z)-8-piperidin-1-ylocta-3,5-dien-3-yl]oxypropyl]-3,6-dihydro-2H-pyridine?
ethane;1-[3-[(3E,5Z)-8-piperidin-1-ylocta-3,5-dien-3-yl]oxypropyl]-3,6-dihydro-2H-pyridine has a molecular weight of 362.60 g/mol, XLogP of 5.41, 10 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;1-[3-[(3E,5Z)-8-piperidin-1-ylocta-3,5-dien-3-yl]oxypropyl]-3,6-dihydro-2H-pyridine is sourced from PubChem (CID 142009191), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).