4-(1-methoxyethenyl)-1-methylpiperidine;propane

C12H25NO — CID 143916334

IUPAC4-(1-methoxyethenyl)-1-methylpiperidine;propane
SMILESC=C(OC)C1CCN(C)CC1.CCC
InChIInChI=1S/C9H17NO.C3H8/c1-8(11-3)9-4-6-10(2)7-5-9;1-3-2/h9H,1,4-7H2,2-3H3;3H2,1-2H3
InChIKeyOSVQWSUFERLORB-UHFFFAOYSA-N
MW199.34 g/mol
LogP2.90
Rot. Bonds2

About 4-(1-methoxyethenyl)-1-methylpiperidine;propane

4-(1-methoxyethenyl)-1-methylpiperidine;propane (PubChem CID 143916334) has the molecular formula C12H25NO and a molecular weight of 199.34 g/mol. Its IUPAC name is 4-(1-methoxyethenyl)-1-methylpiperidine;propane.

Molecular Properties

Compound Name4-(1-methoxyethenyl)-1-methylpiperidine;propane
PubChem CID143916334
Molecular FormulaC12H25NO
Molecular Weight199.34 g/mol
Exact Mass199.19
IUPAC Name4-(1-methoxyethenyl)-1-methylpiperidine;propane
SMILESC=C(OC)C1CCN(C)CC1.CCC
InChIInChI=1S/C9H17NO.C3H8/c1-8(11-3)9-4-6-10(2)7-5-9;1-3-2/h9H,1,4-7H2,2-3H3;3H2,1-2H3
InChIKeyOSVQWSUFERLORB-UHFFFAOYSA-N
XLogP2.90
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500199.34
LogP ≤ 52.90
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}

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Related Compounds

(3S,4R)-4-(2-ethoxyprop-2-enyl)-3-fluoro-1-methylpiperidine
CID 137535478
4-(1-Methoxyethenyl)-1-methylpiperidine
CID 58967538
1-(1-Methylpiperidin-4-yl)ethenol
CID 59297526
4-(1-Ethoxyethenyl)piperidine
CID 89209600
1-(Cyclopropylmethyl)-4-(1-ethoxyethenyl)piperidine
CID 129209109
Ethane;4-(1-ethoxyethenyl)-1-hydroxypiperidine
CID 141914411
4-Methyl-1-(prop-1-en-2-yloxymethyl)piperidine
CID 143263379
4-(2-Ethoxyprop-2-enyl)-1-(2-methylpropyl)piperidine
CID 143432851
4-[(Z)-1-[(Z)-but-2-en-2-yl]oxyprop-1-enyl]-1-methylpiperidine;ethane
CID 145588938
4-(1-Methoxyethenyl)-1-methylpiperidine;hydrate
CID 162033756
4-[(E)-2-methoxyethenyl]-1-methylpiperidine
CID 165125299
1-Ethyl-4-(prop-1-en-2-yloxymethyl)piperidine
CID 171838523

Frequently Asked Questions

What is the IUPAC name of 4-(1-methoxyethenyl)-1-methylpiperidine;propane?
The IUPAC name of 4-(1-methoxyethenyl)-1-methylpiperidine;propane (CID 143916334) is 4-(1-methoxyethenyl)-1-methylpiperidine;propane.
What is the SMILES notation for 4-(1-methoxyethenyl)-1-methylpiperidine;propane?
The canonical SMILES for 4-(1-methoxyethenyl)-1-methylpiperidine;propane is C=C(OC)C1CCN(C)CC1.CCC.
What is the InChIKey of 4-(1-methoxyethenyl)-1-methylpiperidine;propane?
The InChIKey is OSVQWSUFERLORB-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H17NO.C3H8/c1-8(11-3)9-4-6-10(2)7-5-9;1-3-2/h9H,1,4-7H2,2-3H3;3H2,1-2H3.
What are the key properties of 4-(1-methoxyethenyl)-1-methylpiperidine;propane?
4-(1-methoxyethenyl)-1-methylpiperidine;propane has a molecular weight of 199.34 g/mol, XLogP of 2.90, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(1-methoxyethenyl)-1-methylpiperidine;propane is sourced from PubChem (CID 143916334), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).