1-[(5Z,7Z)-4,7-dimethyldeca-1,3,5,7-tetraen-5-yl]-4-methylpiperidin-4-ol

C18H29NO — CID 174182571

IUPAC1-[(5Z,7Z)-4,7-dimethyldeca-1,3,5,7-tetraen-5-yl]-4-methylpiperidin-4-ol
SMILESC=CC=C(C)/C(=C/C(C)=C\CC)N1CCC(C)(O)CC1
InChIInChI=1S/C18H29NO/c1-6-8-15(3)14-17(16(4)9-7-2)19-12-10-18(5,20)11-13-19/h7-9,14,20H,2,6,10-13H2,1,3-5H3/b15-8-,16-9?,17-14-
InChIKeyQUPAEWGJYLZCNZ-OGNHQRTPSA-N
MW275.44 g/mol
LogP4.21
Rot. Bonds5

About 1-[(5Z,7Z)-4,7-dimethyldeca-1,3,5,7-tetraen-5-yl]-4-methylpiperidin-4-ol

1-[(5Z,7Z)-4,7-dimethyldeca-1,3,5,7-tetraen-5-yl]-4-methylpiperidin-4-ol (PubChem CID 174182571) has the molecular formula C18H29NO and a molecular weight of 275.44 g/mol. Its IUPAC name is 1-[(5Z,7Z)-4,7-dimethyldeca-1,3,5,7-tetraen-5-yl]-4-methylpiperidin-4-ol.

Molecular Properties

Compound Name1-[(5Z,7Z)-4,7-dimethyldeca-1,3,5,7-tetraen-5-yl]-4-methylpiperidin-4-ol
PubChem CID174182571
Molecular FormulaC18H29NO
Molecular Weight275.44 g/mol
Exact Mass275.22
IUPAC Name1-[(5Z,7Z)-4,7-dimethyldeca-1,3,5,7-tetraen-5-yl]-4-methylpiperidin-4-ol
SMILESC=CC=C(C)/C(=C/C(C)=C\CC)N1CCC(C)(O)CC1
InChIInChI=1S/C18H29NO/c1-6-8-15(3)14-17(16(4)9-7-2)19-12-10-18(5,20)11-13-19/h7-9,14,20H,2,6,10-13H2,1,3-5H3/b15-8-,16-9?,17-14-
InChIKeyQUPAEWGJYLZCNZ-OGNHQRTPSA-N
XLogP4.21
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.44
LogP ≤ 54.21
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 1-[(5Z,7Z)-4,7-dimethyldeca-1,3,5,7-tetraen-5-yl]-4-methylpiperidin-4-ol?
The IUPAC name of 1-[(5Z,7Z)-4,7-dimethyldeca-1,3,5,7-tetraen-5-yl]-4-methylpiperidin-4-ol (CID 174182571) is 1-[(5Z,7Z)-4,7-dimethyldeca-1,3,5,7-tetraen-5-yl]-4-methylpiperidin-4-ol.
What is the SMILES notation for 1-[(5Z,7Z)-4,7-dimethyldeca-1,3,5,7-tetraen-5-yl]-4-methylpiperidin-4-ol?
The canonical SMILES for 1-[(5Z,7Z)-4,7-dimethyldeca-1,3,5,7-tetraen-5-yl]-4-methylpiperidin-4-ol is C=CC=C(C)/C(=C/C(C)=C\CC)N1CCC(C)(O)CC1.
What is the InChIKey of 1-[(5Z,7Z)-4,7-dimethyldeca-1,3,5,7-tetraen-5-yl]-4-methylpiperidin-4-ol?
The InChIKey is QUPAEWGJYLZCNZ-OGNHQRTPSA-N. The full InChI is InChI=1S/C18H29NO/c1-6-8-15(3)14-17(16(4)9-7-2)19-12-10-18(5,20)11-13-19/h7-9,14,20H,2,6,10-13H2,1,3-5H3/b15-8-,16-9?,17-14-.
What are the key properties of 1-[(5Z,7Z)-4,7-dimethyldeca-1,3,5,7-tetraen-5-yl]-4-methylpiperidin-4-ol?
1-[(5Z,7Z)-4,7-dimethyldeca-1,3,5,7-tetraen-5-yl]-4-methylpiperidin-4-ol has a molecular weight of 275.44 g/mol, XLogP of 4.21, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(5Z,7Z)-4,7-dimethyldeca-1,3,5,7-tetraen-5-yl]-4-methylpiperidin-4-ol is sourced from PubChem (CID 174182571), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).