4-[(3E)-8-methylnona-1,3-dien-4-yl]piperidine

C15H27N — CID 155373344

IUPAC4-[(3E)-8-methylnona-1,3-dien-4-yl]piperidine
SMILESC=C/C=C(\CCCC(C)C)C1CCNCC1
InChIInChI=1S/C15H27N/c1-4-6-14(8-5-7-13(2)3)15-9-11-16-12-10-15/h4,6,13,15-16H,1,5,7-12H2,2-3H3/b14-6+
InChIKeyXLEAUJFOIMLYCZ-MKMNVTDBSA-N
MW221.39 g/mol
LogP3.92
Rot. Bonds6

About 4-[(3E)-8-methylnona-1,3-dien-4-yl]piperidine

4-[(3E)-8-methylnona-1,3-dien-4-yl]piperidine (PubChem CID 155373344) has the molecular formula C15H27N and a molecular weight of 221.39 g/mol. Its IUPAC name is 4-[(3E)-8-methylnona-1,3-dien-4-yl]piperidine.

Molecular Properties

Compound Name4-[(3E)-8-methylnona-1,3-dien-4-yl]piperidine
PubChem CID155373344
Molecular FormulaC15H27N
Molecular Weight221.39 g/mol
Exact Mass221.21
IUPAC Name4-[(3E)-8-methylnona-1,3-dien-4-yl]piperidine
SMILESC=C/C=C(\CCCC(C)C)C1CCNCC1
InChIInChI=1S/C15H27N/c1-4-6-14(8-5-7-13(2)3)15-9-11-16-12-10-15/h4,6,13,15-16H,1,5,7-12H2,2-3H3/b14-6+
InChIKeyXLEAUJFOIMLYCZ-MKMNVTDBSA-N
XLogP3.92
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.39
LogP ≤ 53.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

[(3E)-hexa-3,5-dien-3-yl]cyclopropane
CID 13014702
N-(5-methylhexan-2-yl)piperidine-4-carboxamide;hydrochloride
CID 119263583
(2E)-N-(1-piperidin-4-ylethenyl)penta-2,4-dien-2-amine
CID 142139228
N-methyl-3-piperidin-4-ylbut-3-en-1-amine
CID 117268270
5-(piperidine-4-carbonylamino)hexanoic acid
CID 82844939
6,10-dimethylundec-1-en-2-ylcyclopropane
CID 123693497
4-(4-methylpentoxy)azepane
CID 63904463
4-methylpentyl 2-piperidin-4-ylacetate
CID 79608603
4-methyl-N-(1-piperidin-4-ylethyl)pentanamide
CID 43523174
N-(5-methylhexan-2-yl)pyrrolidine-3-carboxamide
CID 63005264
6,10,14-trimethylpentadeca-1,3,5-triene
CID 154255847
N-(3-methylbutyl)-N'-(piperidin-4-ylmethyl)propane-1,3-diamine
CID 142367999

Frequently Asked Questions

What is the IUPAC name of 4-[(3E)-8-methylnona-1,3-dien-4-yl]piperidine?
The IUPAC name of 4-[(3E)-8-methylnona-1,3-dien-4-yl]piperidine (CID 155373344) is 4-[(3E)-8-methylnona-1,3-dien-4-yl]piperidine.
What is the SMILES notation for 4-[(3E)-8-methylnona-1,3-dien-4-yl]piperidine?
The canonical SMILES for 4-[(3E)-8-methylnona-1,3-dien-4-yl]piperidine is C=C/C=C(\CCCC(C)C)C1CCNCC1.
What is the InChIKey of 4-[(3E)-8-methylnona-1,3-dien-4-yl]piperidine?
The InChIKey is XLEAUJFOIMLYCZ-MKMNVTDBSA-N. The full InChI is InChI=1S/C15H27N/c1-4-6-14(8-5-7-13(2)3)15-9-11-16-12-10-15/h4,6,13,15-16H,1,5,7-12H2,2-3H3/b14-6+.
What are the key properties of 4-[(3E)-8-methylnona-1,3-dien-4-yl]piperidine?
4-[(3E)-8-methylnona-1,3-dien-4-yl]piperidine has a molecular weight of 221.39 g/mol, XLogP of 3.92, 6 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(3E)-8-methylnona-1,3-dien-4-yl]piperidine is sourced from PubChem (CID 155373344), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).