3-ethyl-1-methyl-5-[(Z)-prop-1-enyl]piperidine

C11H21N — CID 163752232

IUPAC3-ethyl-1-methyl-5-[(Z)-prop-1-enyl]piperidine
SMILESC/C=C\C1CC(CC)CN(C)C1
InChIInChI=1S/C11H21N/c1-4-6-11-7-10(5-2)8-12(3)9-11/h4,6,10-11H,5,7-9H2,1-3H3/b6-4-
InChIKeyLQZINIRHMMDZBZ-XQRVVYSFSA-N
MW167.30 g/mol
LogP2.54
Rot. Bonds2

About 3-ethyl-1-methyl-5-[(Z)-prop-1-enyl]piperidine

3-ethyl-1-methyl-5-[(Z)-prop-1-enyl]piperidine (PubChem CID 163752232) has the molecular formula C11H21N and a molecular weight of 167.30 g/mol. Its IUPAC name is 3-ethyl-1-methyl-5-[(Z)-prop-1-enyl]piperidine.

Molecular Properties

Compound Name3-ethyl-1-methyl-5-[(Z)-prop-1-enyl]piperidine
PubChem CID163752232
Molecular FormulaC11H21N
Molecular Weight167.30 g/mol
Exact Mass167.17
IUPAC Name3-ethyl-1-methyl-5-[(Z)-prop-1-enyl]piperidine
SMILESC/C=C\C1CC(CC)CN(C)C1
InChIInChI=1S/C11H21N/c1-4-6-11-7-10(5-2)8-12(3)9-11/h4,6,10-11H,5,7-9H2,1-3H3/b6-4-
InChIKeyLQZINIRHMMDZBZ-XQRVVYSFSA-N
XLogP2.54
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500167.30
LogP ≤ 52.54
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

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CID 171094994
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1-ethyl-4-[(E)-4-(4-prop-1-enylcyclohexyl)but-1-enyl]cyclohexane
CID 173282061
3-ethyl-1,5-dimethylazocane
CID 178124783
(3aS,6aR)-2-methyl-5-(2-methylpropyl)-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole
CID 118457215
3-ethyl-1-methylpyrrolidine;methane
CID 161184146
3-(2,2-difluoroethyl)-1-methylazetidine
CID 170595317
N-cyclohexyl-5-ethyl-1-methylpiperidin-3-amine
CID 83998971
3-(2-ethylpentyl)-1-methylazetidine
CID 142104566
2,6-diethyl-1,4-dimethylpiperazine
CID 21389198
6-ethyl-1,4-dimethyl-1,4-diazocane
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CID 176937833

Frequently Asked Questions

What is the IUPAC name of 3-ethyl-1-methyl-5-[(Z)-prop-1-enyl]piperidine?
The IUPAC name of 3-ethyl-1-methyl-5-[(Z)-prop-1-enyl]piperidine (CID 163752232) is 3-ethyl-1-methyl-5-[(Z)-prop-1-enyl]piperidine.
What is the SMILES notation for 3-ethyl-1-methyl-5-[(Z)-prop-1-enyl]piperidine?
The canonical SMILES for 3-ethyl-1-methyl-5-[(Z)-prop-1-enyl]piperidine is C/C=C\C1CC(CC)CN(C)C1.
What is the InChIKey of 3-ethyl-1-methyl-5-[(Z)-prop-1-enyl]piperidine?
The InChIKey is LQZINIRHMMDZBZ-XQRVVYSFSA-N. The full InChI is InChI=1S/C11H21N/c1-4-6-11-7-10(5-2)8-12(3)9-11/h4,6,10-11H,5,7-9H2,1-3H3/b6-4-.
What are the key properties of 3-ethyl-1-methyl-5-[(Z)-prop-1-enyl]piperidine?
3-ethyl-1-methyl-5-[(Z)-prop-1-enyl]piperidine has a molecular weight of 167.30 g/mol, XLogP of 2.54, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethyl-1-methyl-5-[(Z)-prop-1-enyl]piperidine is sourced from PubChem (CID 163752232), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).