4-[(4E,6E)-5-ethyl-2,6-dimethylnona-4,6-dienyl]-1-methylpiperidin-4-ol

C19H35NO — CID 155358564

IUPAC4-[(4E,6E)-5-ethyl-2,6-dimethylnona-4,6-dienyl]-1-methylpiperidin-4-ol
SMILESCC/C=C(C)/C(=C/CC(C)CC1(O)CCN(C)CC1)CC
InChIInChI=1S/C19H35NO/c1-6-8-17(4)18(7-2)10-9-16(3)15-19(21)11-13-20(5)14-12-19/h8,10,16,21H,6-7,9,11-15H2,1-5H3/b17-8+,18-10+
InChIKeyBGGFQXJZCVRTQT-SSPCNXNLSA-N
MW293.50 g/mol
LogP4.55
Rot. Bonds7

About 4-[(4E,6E)-5-ethyl-2,6-dimethylnona-4,6-dienyl]-1-methylpiperidin-4-ol

4-[(4E,6E)-5-ethyl-2,6-dimethylnona-4,6-dienyl]-1-methylpiperidin-4-ol (PubChem CID 155358564) has the molecular formula C19H35NO and a molecular weight of 293.50 g/mol. Its IUPAC name is 4-[(4E,6E)-5-ethyl-2,6-dimethylnona-4,6-dienyl]-1-methylpiperidin-4-ol.

Molecular Properties

Compound Name4-[(4E,6E)-5-ethyl-2,6-dimethylnona-4,6-dienyl]-1-methylpiperidin-4-ol
PubChem CID155358564
Molecular FormulaC19H35NO
Molecular Weight293.50 g/mol
Exact Mass293.27
IUPAC Name4-[(4E,6E)-5-ethyl-2,6-dimethylnona-4,6-dienyl]-1-methylpiperidin-4-ol
SMILESCC/C=C(C)/C(=C/CC(C)CC1(O)CCN(C)CC1)CC
InChIInChI=1S/C19H35NO/c1-6-8-17(4)18(7-2)10-9-16(3)15-19(21)11-13-20(5)14-12-19/h8,10,16,21H,6-7,9,11-15H2,1-5H3/b17-8+,18-10+
InChIKeyBGGFQXJZCVRTQT-SSPCNXNLSA-N
XLogP4.55
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.50
LogP ≤ 54.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 4-[(4E,6E)-5-ethyl-2,6-dimethylnona-4,6-dienyl]-1-methylpiperidin-4-ol?
The IUPAC name of 4-[(4E,6E)-5-ethyl-2,6-dimethylnona-4,6-dienyl]-1-methylpiperidin-4-ol (CID 155358564) is 4-[(4E,6E)-5-ethyl-2,6-dimethylnona-4,6-dienyl]-1-methylpiperidin-4-ol.
What is the SMILES notation for 4-[(4E,6E)-5-ethyl-2,6-dimethylnona-4,6-dienyl]-1-methylpiperidin-4-ol?
The canonical SMILES for 4-[(4E,6E)-5-ethyl-2,6-dimethylnona-4,6-dienyl]-1-methylpiperidin-4-ol is CC/C=C(C)/C(=C/CC(C)CC1(O)CCN(C)CC1)CC.
What is the InChIKey of 4-[(4E,6E)-5-ethyl-2,6-dimethylnona-4,6-dienyl]-1-methylpiperidin-4-ol?
The InChIKey is BGGFQXJZCVRTQT-SSPCNXNLSA-N. The full InChI is InChI=1S/C19H35NO/c1-6-8-17(4)18(7-2)10-9-16(3)15-19(21)11-13-20(5)14-12-19/h8,10,16,21H,6-7,9,11-15H2,1-5H3/b17-8+,18-10+.
What are the key properties of 4-[(4E,6E)-5-ethyl-2,6-dimethylnona-4,6-dienyl]-1-methylpiperidin-4-ol?
4-[(4E,6E)-5-ethyl-2,6-dimethylnona-4,6-dienyl]-1-methylpiperidin-4-ol has a molecular weight of 293.50 g/mol, XLogP of 4.55, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(4E,6E)-5-ethyl-2,6-dimethylnona-4,6-dienyl]-1-methylpiperidin-4-ol is sourced from PubChem (CID 155358564), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).