4-ethyl-1-methyl-3,6-dihydro-2H-pyridine;4-ethyl-1-methylpiperidine

C16H32N2 — CID 91190722

IUPAC4-ethyl-1-methyl-3,6-dihydro-2H-pyridine;4-ethyl-1-methylpiperidine
SMILESCCC1=CCN(C)CC1.CCC1CCN(C)CC1
InChIInChI=1S/C8H17N.C8H15N/c2*1-3-8-4-6-9(2)7-5-8/h8H,3-7H2,1-2H3;4H,3,5-7H2,1-2H3
InChIKeyGLPSDAAYJDKTIY-UHFFFAOYSA-N
MW252.45 g/mol
LogP3.40
Rot. Bonds2

About 4-ethyl-1-methyl-3,6-dihydro-2H-pyridine;4-ethyl-1-methylpiperidine

4-ethyl-1-methyl-3,6-dihydro-2H-pyridine;4-ethyl-1-methylpiperidine (PubChem CID 91190722) has the molecular formula C16H32N2 and a molecular weight of 252.45 g/mol. Its IUPAC name is 4-ethyl-1-methyl-3,6-dihydro-2H-pyridine;4-ethyl-1-methylpiperidine.

Molecular Properties

Compound Name4-ethyl-1-methyl-3,6-dihydro-2H-pyridine;4-ethyl-1-methylpiperidine
PubChem CID91190722
Molecular FormulaC16H32N2
Molecular Weight252.45 g/mol
Exact Mass252.26
IUPAC Name4-ethyl-1-methyl-3,6-dihydro-2H-pyridine;4-ethyl-1-methylpiperidine
SMILESCCC1=CCN(C)CC1.CCC1CCN(C)CC1
InChIInChI=1S/C8H17N.C8H15N/c2*1-3-8-4-6-9(2)7-5-8/h8H,3-7H2,1-2H3;4H,3,5-7H2,1-2H3
InChIKeyGLPSDAAYJDKTIY-UHFFFAOYSA-N
XLogP3.40
TPSA6.48 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.45
LogP ≤ 53.40
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

(6Z,10S,11R,19Z,23R)-1,14-diazatetracyclo[21.3.1.110,14.011,25]octacosa-6,19,24-triene
CID 10628969
Piperidine, 1-(3,7,11-trimethyl-2,6,10-dodecatrienyl)-
CID 6446865
Cambridge id 5424826
CID 782854
1-Ethyl-4-[(4-prop-1-en-2-ylcyclohexen-1-yl)methyl]piperazine
CID 2845760
N-[(4-isopropenyl-1-cyclohexen-1-yl)methyl]-N,1-dimethyl-4-piperidinamine
CID 6456299
(2S)-N-ethyl-2,6-dimethyl-N-[[1-(1-methylpiperidin-4-yl)piperidin-4-yl]methyl]hept-5-en-1-amine
CID 26326173
3,3-difluoro-4-methyl-1-propan-2-ylpiperidine;1,4-di(propan-2-yl)-3,6-dihydro-2H-pyridine
CID 156799121
Halicyclamine B
CID 10628970
1-(Prop-2-en-1-yl)-1-[(2,4,6-trimethylcyclohex-3-en-1-yl)methyl]piperidinium
CID 3906191
1-[(E)-3-methylpent-2-enyl]piperidine
CID 22628672
1-[(Z)-2-ethylbut-2-enyl]piperidine
CID 22628673
(3Z)-3-ethylidene-1-methyl-4-prop-2-enylpiperidine
CID 23524296

Frequently Asked Questions

What is the IUPAC name of 4-ethyl-1-methyl-3,6-dihydro-2H-pyridine;4-ethyl-1-methylpiperidine?
The IUPAC name of 4-ethyl-1-methyl-3,6-dihydro-2H-pyridine;4-ethyl-1-methylpiperidine (CID 91190722) is 4-ethyl-1-methyl-3,6-dihydro-2H-pyridine;4-ethyl-1-methylpiperidine.
What is the SMILES notation for 4-ethyl-1-methyl-3,6-dihydro-2H-pyridine;4-ethyl-1-methylpiperidine?
The canonical SMILES for 4-ethyl-1-methyl-3,6-dihydro-2H-pyridine;4-ethyl-1-methylpiperidine is CCC1=CCN(C)CC1.CCC1CCN(C)CC1.
What is the InChIKey of 4-ethyl-1-methyl-3,6-dihydro-2H-pyridine;4-ethyl-1-methylpiperidine?
The InChIKey is GLPSDAAYJDKTIY-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H17N.C8H15N/c2*1-3-8-4-6-9(2)7-5-8/h8H,3-7H2,1-2H3;4H,3,5-7H2,1-2H3.
What are the key properties of 4-ethyl-1-methyl-3,6-dihydro-2H-pyridine;4-ethyl-1-methylpiperidine?
4-ethyl-1-methyl-3,6-dihydro-2H-pyridine;4-ethyl-1-methylpiperidine has a molecular weight of 252.45 g/mol, XLogP of 3.40, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-ethyl-1-methyl-3,6-dihydro-2H-pyridine;4-ethyl-1-methylpiperidine is sourced from PubChem (CID 91190722), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).