ethane;4-(2-ethoxyprop-2-enyl)-3-methylpiperidine

C13H27NO — CID 145013241

IUPACethane;4-(2-ethoxyprop-2-enyl)-3-methylpiperidine
SMILESC=C(CC1CCNCC1C)OCC.CC
InChIInChI=1S/C11H21NO.C2H6/c1-4-13-10(3)7-11-5-6-12-8-9(11)2;1-2/h9,11-12H,3-8H2,1-2H3;1-2H3
InChIKeyRMNVRDULFRGLMQ-UHFFFAOYSA-N
MW213.36 g/mol
LogP3.20
Rot. Bonds4

About ethane;4-(2-ethoxyprop-2-enyl)-3-methylpiperidine

ethane;4-(2-ethoxyprop-2-enyl)-3-methylpiperidine (PubChem CID 145013241) has the molecular formula C13H27NO and a molecular weight of 213.36 g/mol. Its IUPAC name is ethane;4-(2-ethoxyprop-2-enyl)-3-methylpiperidine.

Molecular Properties

Compound Nameethane;4-(2-ethoxyprop-2-enyl)-3-methylpiperidine
PubChem CID145013241
Molecular FormulaC13H27NO
Molecular Weight213.36 g/mol
Exact Mass213.21
IUPAC Nameethane;4-(2-ethoxyprop-2-enyl)-3-methylpiperidine
SMILESC=C(CC1CCNCC1C)OCC.CC
InChIInChI=1S/C11H21NO.C2H6/c1-4-13-10(3)7-11-5-6-12-8-9(11)2;1-2/h9,11-12H,3-8H2,1-2H3;1-2H3
InChIKeyRMNVRDULFRGLMQ-UHFFFAOYSA-N
XLogP3.20
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.36
LogP ≤ 53.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of ethane;4-(2-ethoxyprop-2-enyl)-3-methylpiperidine?
The IUPAC name of ethane;4-(2-ethoxyprop-2-enyl)-3-methylpiperidine (CID 145013241) is ethane;4-(2-ethoxyprop-2-enyl)-3-methylpiperidine.
What is the SMILES notation for ethane;4-(2-ethoxyprop-2-enyl)-3-methylpiperidine?
The canonical SMILES for ethane;4-(2-ethoxyprop-2-enyl)-3-methylpiperidine is C=C(CC1CCNCC1C)OCC.CC.
What is the InChIKey of ethane;4-(2-ethoxyprop-2-enyl)-3-methylpiperidine?
The InChIKey is RMNVRDULFRGLMQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H21NO.C2H6/c1-4-13-10(3)7-11-5-6-12-8-9(11)2;1-2/h9,11-12H,3-8H2,1-2H3;1-2H3.
What are the key properties of ethane;4-(2-ethoxyprop-2-enyl)-3-methylpiperidine?
ethane;4-(2-ethoxyprop-2-enyl)-3-methylpiperidine has a molecular weight of 213.36 g/mol, XLogP of 3.20, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;4-(2-ethoxyprop-2-enyl)-3-methylpiperidine is sourced from PubChem (CID 145013241), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).