4-methyl-4-[(3Z,5Z)-3-methylocta-1,3,5,7-tetraen-4-yl]piperidine

C15H23N — CID 138613893

IUPAC4-methyl-4-[(3Z,5Z)-3-methylocta-1,3,5,7-tetraen-4-yl]piperidine
SMILESC=C/C=C\C(=C(/C)C=C)C1(C)CCNCC1
InChIInChI=1S/C15H23N/c1-5-7-8-14(13(3)6-2)15(4)9-11-16-12-10-15/h5-8,16H,1-2,9-12H2,3-4H3/b8-7-,14-13-
InChIKeyMNUZJSJBMAACKR-WRKWTSPFSA-N
MW217.36 g/mol
LogP3.62
Rot. Bonds4

About 4-methyl-4-[(3Z,5Z)-3-methylocta-1,3,5,7-tetraen-4-yl]piperidine

4-methyl-4-[(3Z,5Z)-3-methylocta-1,3,5,7-tetraen-4-yl]piperidine (PubChem CID 138613893) has the molecular formula C15H23N and a molecular weight of 217.36 g/mol. Its IUPAC name is 4-methyl-4-[(3Z,5Z)-3-methylocta-1,3,5,7-tetraen-4-yl]piperidine.

Molecular Properties

Compound Name4-methyl-4-[(3Z,5Z)-3-methylocta-1,3,5,7-tetraen-4-yl]piperidine
PubChem CID138613893
Molecular FormulaC15H23N
Molecular Weight217.36 g/mol
Exact Mass217.18
IUPAC Name4-methyl-4-[(3Z,5Z)-3-methylocta-1,3,5,7-tetraen-4-yl]piperidine
SMILESC=C/C=C\C(=C(/C)C=C)C1(C)CCNCC1
InChIInChI=1S/C15H23N/c1-5-7-8-14(13(3)6-2)15(4)9-11-16-12-10-15/h5-8,16H,1-2,9-12H2,3-4H3/b8-7-,14-13-
InChIKeyMNUZJSJBMAACKR-WRKWTSPFSA-N
XLogP3.62
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500217.36
LogP ≤ 53.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze 4-methyl-4-[(3Z,5Z)-3-methylocta-1,3,5,7-tetraen-4-yl]piperidine with MolForge

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Related Compounds

4-methyl-4-penta-2,4-dien-2-ylpiperidine
CID 123383540
4-[(1E)-buta-1,3-dienyl]-4-methylpiperidine
CID 86710783
1-[(3Z)-hexa-1,3,5-trien-2-yl]-3-methylbicyclo[1.1.1]pentane
CID 177243444
(3E,5Z)-3-methyl-N-prop-1-en-2-ylocta-1,3,5,7-tetraen-4-amine
CID 170231380
ethane;1-[(2E,4Z)-hepta-2,4,6-trien-3-yl]piperazine
CID 143059100
ethane;1-[(3Z)-hexa-1,3,5-trien-2-yl]-3-methylbicyclo[1.1.1]pentane
CID 177243443
3-[(1Z)-buta-1,3-dienyl]-2-methyl-8-azaspiro[4.5]dec-2-ene
CID 155702976
(3Z,5Z,6Z)-5-but-3-en-2-ylidene-4-ethenylnona-1,3,6,8-tetraene
CID 174021215
ethane;4-[(2Z,4Z)-hepta-2,4,6-trien-3-yl]piperidine
CID 142942953
4,4-dimethylpiperidine;1-piperidin-1-ylprop-2-en-1-one
CID 175432940
ethane;3-methyl-3-prop-1-en-2-ylpyrrolidine;molecular hydrogen
CID 166075553
ethane;methane;(3E,5Z)-3-methyl-4-[(Z)-prop-1-enyl]octa-1,3,5,7-tetraene
CID 143006430

Frequently Asked Questions

What is the IUPAC name of 4-methyl-4-[(3Z,5Z)-3-methylocta-1,3,5,7-tetraen-4-yl]piperidine?
The IUPAC name of 4-methyl-4-[(3Z,5Z)-3-methylocta-1,3,5,7-tetraen-4-yl]piperidine (CID 138613893) is 4-methyl-4-[(3Z,5Z)-3-methylocta-1,3,5,7-tetraen-4-yl]piperidine.
What is the SMILES notation for 4-methyl-4-[(3Z,5Z)-3-methylocta-1,3,5,7-tetraen-4-yl]piperidine?
The canonical SMILES for 4-methyl-4-[(3Z,5Z)-3-methylocta-1,3,5,7-tetraen-4-yl]piperidine is C=C/C=C\C(=C(/C)C=C)C1(C)CCNCC1.
What is the InChIKey of 4-methyl-4-[(3Z,5Z)-3-methylocta-1,3,5,7-tetraen-4-yl]piperidine?
The InChIKey is MNUZJSJBMAACKR-WRKWTSPFSA-N. The full InChI is InChI=1S/C15H23N/c1-5-7-8-14(13(3)6-2)15(4)9-11-16-12-10-15/h5-8,16H,1-2,9-12H2,3-4H3/b8-7-,14-13-.
What are the key properties of 4-methyl-4-[(3Z,5Z)-3-methylocta-1,3,5,7-tetraen-4-yl]piperidine?
4-methyl-4-[(3Z,5Z)-3-methylocta-1,3,5,7-tetraen-4-yl]piperidine has a molecular weight of 217.36 g/mol, XLogP of 3.62, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-4-[(3Z,5Z)-3-methylocta-1,3,5,7-tetraen-4-yl]piperidine is sourced from PubChem (CID 138613893), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).