4-(5-methylhexa-2,4-dien-2-yl)piperidine

C12H21N — CID 123238114

IUPAC4-(5-methylhexa-2,4-dien-2-yl)piperidine
SMILESCC(C)=CC=C(C)C1CCNCC1
InChIInChI=1S/C12H21N/c1-10(2)4-5-11(3)12-6-8-13-9-7-12/h4-5,12-13H,6-9H2,1-3H3
InChIKeyCFHRTZDSUJIMJP-UHFFFAOYSA-N
MW179.31 g/mol
LogP2.90
Rot. Bonds2

About 4-(5-methylhexa-2,4-dien-2-yl)piperidine

4-(5-methylhexa-2,4-dien-2-yl)piperidine (PubChem CID 123238114) has the molecular formula C12H21N and a molecular weight of 179.31 g/mol. Its IUPAC name is 4-(5-methylhexa-2,4-dien-2-yl)piperidine.

Molecular Properties

Compound Name4-(5-methylhexa-2,4-dien-2-yl)piperidine
PubChem CID123238114
Molecular FormulaC12H21N
Molecular Weight179.31 g/mol
Exact Mass179.17
IUPAC Name4-(5-methylhexa-2,4-dien-2-yl)piperidine
SMILESCC(C)=CC=C(C)C1CCNCC1
InChIInChI=1S/C12H21N/c1-10(2)4-5-11(3)12-6-8-13-9-7-12/h4-5,12-13H,6-9H2,1-3H3
InChIKeyCFHRTZDSUJIMJP-UHFFFAOYSA-N
XLogP2.90
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500179.31
LogP ≤ 52.90
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

Octahydro 4,4'-bipyridyl
CID 4867470
Pyridine, 1,2,3,6-tetrahydro-4-(4-piperidinyl)-
CID 5231471
Hexahydroisoquinoline
CID 54394851
4-[4-(Trifluoromethyl)cyclohexa-1,5-dien-1-yl]piperidine
CID 68363150
4-[(3E)-3-fluorohexa-1,3,5-trien-2-yl]piperidine
CID 89162763
4-[(E)-1-fluorohex-3-en-3-yl]piperidine
CID 89168225
4-(4-Fluorocyclohexa-1,5-dien-1-yl)piperidine
CID 89358489
4-(4-Fluorocyclohexa-1,3-dien-1-yl)piperidine
CID 89358844
N-[(4-fluoro-2-methylcyclohexa-2,4-dien-1-yl)methyl]-2-methylpropan-1-amine
CID 90831730
4-[1-(2-Fluoroethyl)piperidin-4-yl]hexa-2,4-dien-1-amine
CID 91377758
3-ethyl-6-fluoro-N-[(4-methylcyclohexa-1,3-dien-1-yl)methyl]hept-4-en-1-amine
CID 123272222
7-fluoro-N,3-dimethyl-4-methylideneocta-5,7-dien-1-amine
CID 123382807

Frequently Asked Questions

What is the IUPAC name of 4-(5-methylhexa-2,4-dien-2-yl)piperidine?
The IUPAC name of 4-(5-methylhexa-2,4-dien-2-yl)piperidine (CID 123238114) is 4-(5-methylhexa-2,4-dien-2-yl)piperidine.
What is the SMILES notation for 4-(5-methylhexa-2,4-dien-2-yl)piperidine?
The canonical SMILES for 4-(5-methylhexa-2,4-dien-2-yl)piperidine is CC(C)=CC=C(C)C1CCNCC1.
What is the InChIKey of 4-(5-methylhexa-2,4-dien-2-yl)piperidine?
The InChIKey is CFHRTZDSUJIMJP-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21N/c1-10(2)4-5-11(3)12-6-8-13-9-7-12/h4-5,12-13H,6-9H2,1-3H3.
What are the key properties of 4-(5-methylhexa-2,4-dien-2-yl)piperidine?
4-(5-methylhexa-2,4-dien-2-yl)piperidine has a molecular weight of 179.31 g/mol, XLogP of 2.90, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(5-methylhexa-2,4-dien-2-yl)piperidine is sourced from PubChem (CID 123238114), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).