1-[(2E,6E)-5-ethylnona-2,4,6-trien-2-yl]-4-methylpiperidin-4-ol

C17H29NO — CID 177235048

IUPAC1-[(2E,6E)-5-ethylnona-2,4,6-trien-2-yl]-4-methylpiperidin-4-ol
SMILESCC/C=C/C(=C/C=C(\C)N1CCC(C)(O)CC1)CC
InChIInChI=1S/C17H29NO/c1-5-7-8-16(6-2)10-9-15(3)18-13-11-17(4,19)12-14-18/h7-10,19H,5-6,11-14H2,1-4H3/b8-7+,15-9+,16-10?
InChIKeyYPZNJUVXIONMBB-DPDOOCFXSA-N
MW263.43 g/mol
LogP4.04
Rot. Bonds5

About 1-[(2E,6E)-5-ethylnona-2,4,6-trien-2-yl]-4-methylpiperidin-4-ol

1-[(2E,6E)-5-ethylnona-2,4,6-trien-2-yl]-4-methylpiperidin-4-ol (PubChem CID 177235048) has the molecular formula C17H29NO and a molecular weight of 263.43 g/mol. Its IUPAC name is 1-[(2E,6E)-5-ethylnona-2,4,6-trien-2-yl]-4-methylpiperidin-4-ol.

Molecular Properties

Compound Name1-[(2E,6E)-5-ethylnona-2,4,6-trien-2-yl]-4-methylpiperidin-4-ol
PubChem CID177235048
Molecular FormulaC17H29NO
Molecular Weight263.43 g/mol
Exact Mass263.22
IUPAC Name1-[(2E,6E)-5-ethylnona-2,4,6-trien-2-yl]-4-methylpiperidin-4-ol
SMILESCC/C=C/C(=C/C=C(\C)N1CCC(C)(O)CC1)CC
InChIInChI=1S/C17H29NO/c1-5-7-8-16(6-2)10-9-15(3)18-13-11-17(4,19)12-14-18/h7-10,19H,5-6,11-14H2,1-4H3/b8-7+,15-9+,16-10?
InChIKeyYPZNJUVXIONMBB-DPDOOCFXSA-N
XLogP4.04
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.43
LogP ≤ 54.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 1-[(2E,6E)-5-ethylnona-2,4,6-trien-2-yl]-4-methylpiperidin-4-ol with MolForge

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Related Compounds

1-[(E)-but-2-en-2-yl]-4-[(3Z,5E)-5-chlorohepta-1,3,5-trien-2-yl]piperidin-4-ol
CID 89073947
1-[(2E,4E)-5-amino-6-methylhepta-2,4,6-trien-2-yl]-4-[(3E)-4-chlorohexa-3,5-dienyl]piperidin-4-ol
CID 89256483
4-ethyl-1-[(3Z,5Z)-2-methylidenehepta-3,5-dienyl]piperidin-4-ol
CID 89840395
4-Cyclohepta-1,4-dien-1-yl-1-hexa-1,3-dien-3-ylpiperidin-4-ol
CID 90902227
4-[(3E,5Z)-hepta-1,3,5-trien-4-yl]-1-methylpiperidin-4-ol
CID 134365800
ethane;4-[(2E,4Z)-hepta-2,4,6-trien-3-yl]-1-methylpiperidin-4-ol
CID 141848831
4-[(3Z,5Z)-hepta-1,3,5-trien-2-yl]-1-propan-2-ylpiperidin-4-ol
CID 142097570
ethane;4-[(3E)-hexa-1,3-dien-3-yl]-1-methylpiperidin-4-ol
CID 142138355
1-(2-Cyclohexa-1,5-dien-1-ylethyl)-4-methylpiperidin-4-ol;ethane
CID 142188866
ethane;1-methyl-4-[(3Z)-penta-1,3-dien-2-yl]piperidin-4-ol
CID 143049084
ethane;4-[(3E,5Z)-hepta-1,3,5-trien-4-yl]-1-propylpiperidin-4-ol
CID 143617059
1-ethyl-4-[(3E,5Z)-hepta-1,3,5-trien-4-yl]piperidin-4-ol
CID 143658534

Frequently Asked Questions

What is the IUPAC name of 1-[(2E,6E)-5-ethylnona-2,4,6-trien-2-yl]-4-methylpiperidin-4-ol?
The IUPAC name of 1-[(2E,6E)-5-ethylnona-2,4,6-trien-2-yl]-4-methylpiperidin-4-ol (CID 177235048) is 1-[(2E,6E)-5-ethylnona-2,4,6-trien-2-yl]-4-methylpiperidin-4-ol.
What is the SMILES notation for 1-[(2E,6E)-5-ethylnona-2,4,6-trien-2-yl]-4-methylpiperidin-4-ol?
The canonical SMILES for 1-[(2E,6E)-5-ethylnona-2,4,6-trien-2-yl]-4-methylpiperidin-4-ol is CC/C=C/C(=C/C=C(\C)N1CCC(C)(O)CC1)CC.
What is the InChIKey of 1-[(2E,6E)-5-ethylnona-2,4,6-trien-2-yl]-4-methylpiperidin-4-ol?
The InChIKey is YPZNJUVXIONMBB-DPDOOCFXSA-N. The full InChI is InChI=1S/C17H29NO/c1-5-7-8-16(6-2)10-9-15(3)18-13-11-17(4,19)12-14-18/h7-10,19H,5-6,11-14H2,1-4H3/b8-7+,15-9+,16-10?.
What are the key properties of 1-[(2E,6E)-5-ethylnona-2,4,6-trien-2-yl]-4-methylpiperidin-4-ol?
1-[(2E,6E)-5-ethylnona-2,4,6-trien-2-yl]-4-methylpiperidin-4-ol has a molecular weight of 263.43 g/mol, XLogP of 4.04, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2E,6E)-5-ethylnona-2,4,6-trien-2-yl]-4-methylpiperidin-4-ol is sourced from PubChem (CID 177235048), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).