4-methyl-4-penta-2,4-dien-2-ylpiperidine

C11H19N — CID 123383540

IUPAC4-methyl-4-penta-2,4-dien-2-ylpiperidine
SMILESC=CC=C(C)C1(C)CCNCC1
InChIInChI=1S/C11H19N/c1-4-5-10(2)11(3)6-8-12-9-7-11/h4-5,12H,1,6-9H2,2-3H3
InChIKeyZCXWKHOIMDFOFE-UHFFFAOYSA-N
MW165.28 g/mol
LogP2.51
Rot. Bonds2

About 4-methyl-4-penta-2,4-dien-2-ylpiperidine

4-methyl-4-penta-2,4-dien-2-ylpiperidine (PubChem CID 123383540) has the molecular formula C11H19N and a molecular weight of 165.28 g/mol. Its IUPAC name is 4-methyl-4-penta-2,4-dien-2-ylpiperidine.

Molecular Properties

Compound Name4-methyl-4-penta-2,4-dien-2-ylpiperidine
PubChem CID123383540
Molecular FormulaC11H19N
Molecular Weight165.28 g/mol
Exact Mass165.15
IUPAC Name4-methyl-4-penta-2,4-dien-2-ylpiperidine
SMILESC=CC=C(C)C1(C)CCNCC1
InChIInChI=1S/C11H19N/c1-4-5-10(2)11(3)6-8-12-9-7-11/h4-5,12H,1,6-9H2,2-3H3
InChIKeyZCXWKHOIMDFOFE-UHFFFAOYSA-N
XLogP2.51
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500165.28
LogP ≤ 52.51
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

4-methyl-4-[(3Z,5Z)-3-methylocta-1,3,5,7-tetraen-4-yl]piperidine
CID 138613893
4-[(1E)-buta-1,3-dienyl]-4-methylpiperidine
CID 86710783
ethane;4-[(3E)-hexa-1,3,5-trien-3-yl]piperidine-4-carbonitrile
CID 143493874
ethane;3-methyl-3-prop-1-en-2-ylpyrrolidine;molecular hydrogen
CID 166075553
3,3-difluoropyrrolidine;(3Z,5Z)-4-methylhepta-1,3,5-triene
CID 156749647
4-[(3E,5Z)-hepta-1,3,5-trien-4-yl]piperidine-4-carbonitrile
CID 143443266
3-methyl-1-(3-methylpyrrolidin-3-yl)but-2-en-1-one
CID 116570153
1-(3-methylpyrrolidin-3-yl)pent-4-en-1-one
CID 116569923
N-ethyl-4-methyl-N-(2-methylprop-2-enyl)piperidine-4-carboxamide
CID 63121302
2-ethyl-2-[(4-methylpiperidine-4-carbonyl)amino]butanoic acid
CID 79803552
4-methyl-N-(2-methylpropoxy)piperidine-4-carboxamide
CID 82722554
2,2-dimethyl-1-(3-methylpyrrolidin-3-yl)propan-1-one
CID 116570035

Frequently Asked Questions

What is the IUPAC name of 4-methyl-4-penta-2,4-dien-2-ylpiperidine?
The IUPAC name of 4-methyl-4-penta-2,4-dien-2-ylpiperidine (CID 123383540) is 4-methyl-4-penta-2,4-dien-2-ylpiperidine.
What is the SMILES notation for 4-methyl-4-penta-2,4-dien-2-ylpiperidine?
The canonical SMILES for 4-methyl-4-penta-2,4-dien-2-ylpiperidine is C=CC=C(C)C1(C)CCNCC1.
What is the InChIKey of 4-methyl-4-penta-2,4-dien-2-ylpiperidine?
The InChIKey is ZCXWKHOIMDFOFE-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19N/c1-4-5-10(2)11(3)6-8-12-9-7-11/h4-5,12H,1,6-9H2,2-3H3.
What are the key properties of 4-methyl-4-penta-2,4-dien-2-ylpiperidine?
4-methyl-4-penta-2,4-dien-2-ylpiperidine has a molecular weight of 165.28 g/mol, XLogP of 2.51, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-4-penta-2,4-dien-2-ylpiperidine is sourced from PubChem (CID 123383540), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).