4-methyl-4-[(5Z,7Z)-3-methylnona-3,5,7-trien-4-yl]oxypiperidine

C16H27NO — CID 145107983

IUPAC4-methyl-4-[(5Z,7Z)-3-methylnona-3,5,7-trien-4-yl]oxypiperidine
SMILESC/C=C\C=C/C(OC1(C)CCNCC1)=C(C)CC
InChIInChI=1S/C16H27NO/c1-5-7-8-9-15(14(3)6-2)18-16(4)10-12-17-13-11-16/h5,7-9,17H,6,10-13H2,1-4H3/b7-5-,9-8-,15-14?
InChIKeyIPWCLSWOSQPVBI-KHTZPEMQSA-N
MW249.40 g/mol
LogP3.96
Rot. Bonds5

About 4-methyl-4-[(5Z,7Z)-3-methylnona-3,5,7-trien-4-yl]oxypiperidine

4-methyl-4-[(5Z,7Z)-3-methylnona-3,5,7-trien-4-yl]oxypiperidine (PubChem CID 145107983) has the molecular formula C16H27NO and a molecular weight of 249.40 g/mol. Its IUPAC name is 4-methyl-4-[(5Z,7Z)-3-methylnona-3,5,7-trien-4-yl]oxypiperidine.

Molecular Properties

Compound Name4-methyl-4-[(5Z,7Z)-3-methylnona-3,5,7-trien-4-yl]oxypiperidine
PubChem CID145107983
Molecular FormulaC16H27NO
Molecular Weight249.40 g/mol
Exact Mass249.21
IUPAC Name4-methyl-4-[(5Z,7Z)-3-methylnona-3,5,7-trien-4-yl]oxypiperidine
SMILESC/C=C\C=C/C(OC1(C)CCNCC1)=C(C)CC
InChIInChI=1S/C16H27NO/c1-5-7-8-9-15(14(3)6-2)18-16(4)10-12-17-13-11-16/h5,7-9,17H,6,10-13H2,1-4H3/b7-5-,9-8-,15-14?
InChIKeyIPWCLSWOSQPVBI-KHTZPEMQSA-N
XLogP3.96
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.40
LogP ≤ 53.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

4-[(2E,4E)-4,6-difluorohepta-2,4,6-trien-2-yl]-4-methoxypiperidine
CID 143792353
(2E)-4-[(E)-but-2-en-2-yl]-2-[(E)-3-fluorobut-2-enylidene]-3-methylidene-1-oxa-9-azaspiro[5.5]undec-4-ene
CID 143304555
4-(5-Methylcyclohepta-1,3,6-trien-1-yl)oxypiperidine
CID 70917166
Spiro[isochromene-3,4'-piperidine]
CID 87563605
4-[(2E,4E)-5-methoxyhepta-2,4,6-trien-2-yl]piperidine
CID 88308841
3-[(3E)-2,6-dimethylhepta-1,3,5-trien-3-yl]oxy-3-ethylpiperidine
CID 88958017
3-(2,6-Dimethylhepta-1,3,5-trien-3-yloxy)-3-ethylpiperidine
CID 123604095
4-[(3E,5Z)-5-methylocta-3,5-dien-4-yl]oxypiperidine
CID 142944388
ethane;4-[(2Z,4Z)-3-methoxyhepta-2,4,6-trien-2-yl]piperidine
CID 143276794
4-[(2E,4Z)-7-methyl-6-methylideneocta-2,4-dien-3-yl]oxypiperidine
CID 143457436
ethane;4-[(3Z)-4-methoxyhexa-1,3,5-trien-3-yl]piperidine
CID 143617057
4-[(E)-2-[(Z)-prop-1-enyl]pent-2-enoxy]piperidine
CID 143791987

Frequently Asked Questions

What is the IUPAC name of 4-methyl-4-[(5Z,7Z)-3-methylnona-3,5,7-trien-4-yl]oxypiperidine?
The IUPAC name of 4-methyl-4-[(5Z,7Z)-3-methylnona-3,5,7-trien-4-yl]oxypiperidine (CID 145107983) is 4-methyl-4-[(5Z,7Z)-3-methylnona-3,5,7-trien-4-yl]oxypiperidine.
What is the SMILES notation for 4-methyl-4-[(5Z,7Z)-3-methylnona-3,5,7-trien-4-yl]oxypiperidine?
The canonical SMILES for 4-methyl-4-[(5Z,7Z)-3-methylnona-3,5,7-trien-4-yl]oxypiperidine is C/C=C\C=C/C(OC1(C)CCNCC1)=C(C)CC.
What is the InChIKey of 4-methyl-4-[(5Z,7Z)-3-methylnona-3,5,7-trien-4-yl]oxypiperidine?
The InChIKey is IPWCLSWOSQPVBI-KHTZPEMQSA-N. The full InChI is InChI=1S/C16H27NO/c1-5-7-8-9-15(14(3)6-2)18-16(4)10-12-17-13-11-16/h5,7-9,17H,6,10-13H2,1-4H3/b7-5-,9-8-,15-14?.
What are the key properties of 4-methyl-4-[(5Z,7Z)-3-methylnona-3,5,7-trien-4-yl]oxypiperidine?
4-methyl-4-[(5Z,7Z)-3-methylnona-3,5,7-trien-4-yl]oxypiperidine has a molecular weight of 249.40 g/mol, XLogP of 3.96, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-4-[(5Z,7Z)-3-methylnona-3,5,7-trien-4-yl]oxypiperidine is sourced from PubChem (CID 145107983), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).