sodium;4,4-di(ethyl)-1-methylpiperidine;ethane

C12H25NNa- — CID 177136872

IUPACsodium;4,4-di(ethyl)-1-methylpiperidine;ethane
SMILESCC.[CH2-]CC1(C[CH2-])CCN(C)CC1.[Na+]
InChIInChI=1S/C10H19N.C2H6.Na/c1-4-10(5-2)6-8-11(3)9-7-10;1-2;/h1-2,4-9H2,3H3;1-2H3;/q-2;;+1
InChIKeyQOEXRRIZYKVTCU-UHFFFAOYSA-N
MW206.33 g/mol
LogP0.18
Rot. Bonds2

About sodium;4,4-di(ethyl)-1-methylpiperidine;ethane

sodium;4,4-di(ethyl)-1-methylpiperidine;ethane (PubChem CID 177136872) has the molecular formula C12H25NNa- and a molecular weight of 206.33 g/mol. Its IUPAC name is sodium;4,4-di(ethyl)-1-methylpiperidine;ethane.

Molecular Properties

Compound Namesodium;4,4-di(ethyl)-1-methylpiperidine;ethane
PubChem CID177136872
Molecular FormulaC12H25NNa-
Molecular Weight206.33 g/mol
Exact Mass206.19
IUPAC Namesodium;4,4-di(ethyl)-1-methylpiperidine;ethane
SMILESCC.[CH2-]CC1(C[CH2-])CCN(C)CC1.[Na+]
InChIInChI=1S/C10H19N.C2H6.Na/c1-4-10(5-2)6-8-11(3)9-7-10;1-2;/h1-2,4-9H2,3H3;1-2H3;/q-2;;+1
InChIKeyQOEXRRIZYKVTCU-UHFFFAOYSA-N
XLogP0.18
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500206.33
LogP ≤ 50.18
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

3,3-diethyl-1-methylpyrrolidine;ethane
CID 177188289
(1,4-dimethylpiperidin-4-yl)methanol;ethane
CID 142863096
[4-(fluoromethyl)-1-methylpiperidin-4-yl]methanamine
CID 83854316
2-[4-(hydroxymethyl)-1-methylpiperidin-4-yl]ethanol
CID 58284059
1-(4-ethyl-1-methylpiperidin-4-yl)-N-methylmethanamine
CID 83635773
ethane;N-ethyl-2-(4-ethyl-1-methylpiperidin-4-yl)ethanamine
CID 177188375
4,4-difluoro-1-methylpiperidine;ethane;ethanol
CID 166533902
(4-fluoro-1-methylpiperidin-4-yl)methanol
CID 24729611
1,4-dimethylpiperazine;ethane
CID 91292414
[4-(cyclopropylmethyl)-1-methylpiperidin-4-yl]methanol
CID 70641658
1,4,4,5,5,6,6-heptamethylazocane
CID 154547970
4-ethenyl-4-fluoro-1-methylpiperidine
CID 154558777

Frequently Asked Questions

What is the IUPAC name of sodium;4,4-di(ethyl)-1-methylpiperidine;ethane?
The IUPAC name of sodium;4,4-di(ethyl)-1-methylpiperidine;ethane (CID 177136872) is sodium;4,4-di(ethyl)-1-methylpiperidine;ethane.
What is the SMILES notation for sodium;4,4-di(ethyl)-1-methylpiperidine;ethane?
The canonical SMILES for sodium;4,4-di(ethyl)-1-methylpiperidine;ethane is CC.[CH2-]CC1(C[CH2-])CCN(C)CC1.[Na+].
What is the InChIKey of sodium;4,4-di(ethyl)-1-methylpiperidine;ethane?
The InChIKey is QOEXRRIZYKVTCU-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H19N.C2H6.Na/c1-4-10(5-2)6-8-11(3)9-7-10;1-2;/h1-2,4-9H2,3H3;1-2H3;/q-2;;+1.
What are the key properties of sodium;4,4-di(ethyl)-1-methylpiperidine;ethane?
sodium;4,4-di(ethyl)-1-methylpiperidine;ethane has a molecular weight of 206.33 g/mol, XLogP of 0.18, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for sodium;4,4-di(ethyl)-1-methylpiperidine;ethane is sourced from PubChem (CID 177136872), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).