2-(dimethylamino)ethyl 1,6-dimethylpiperidine-2-carboxylate

C12H24N2O2 — CID 44719363

IUPAC2-(dimethylamino)ethyl 1,6-dimethylpiperidine-2-carboxylate
SMILESCC1CCCC(C(=O)OCCN(C)C)N1C
InChIInChI=1S/C12H24N2O2/c1-10-6-5-7-11(14(10)4)12(15)16-9-8-13(2)3/h10-11H,5-9H2,1-4H3
InChIKeyIXKDISULCNPINS-UHFFFAOYSA-N
MW228.34 g/mol
LogP0.96
Rot. Bonds4

About 2-(dimethylamino)ethyl 1,6-dimethylpiperidine-2-carboxylate

2-(dimethylamino)ethyl 1,6-dimethylpiperidine-2-carboxylate (PubChem CID 44719363) has the molecular formula C12H24N2O2 and a molecular weight of 228.34 g/mol. Its IUPAC name is 2-(dimethylamino)ethyl 1,6-dimethylpiperidine-2-carboxylate.

Molecular Properties

Compound Name2-(dimethylamino)ethyl 1,6-dimethylpiperidine-2-carboxylate
PubChem CID44719363
Molecular FormulaC12H24N2O2
Molecular Weight228.34 g/mol
Exact Mass228.18
IUPAC Name2-(dimethylamino)ethyl 1,6-dimethylpiperidine-2-carboxylate
SMILESCC1CCCC(C(=O)OCCN(C)C)N1C
InChIInChI=1S/C12H24N2O2/c1-10-6-5-7-11(14(10)4)12(15)16-9-8-13(2)3/h10-11H,5-9H2,1-4H3
InChIKeyIXKDISULCNPINS-UHFFFAOYSA-N
XLogP0.96
TPSA32.78 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.34
LogP ≤ 50.96
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-(dimethylamino)ethyl 1,6-dimethylpiperidine-2-carboxylate?
The IUPAC name of 2-(dimethylamino)ethyl 1,6-dimethylpiperidine-2-carboxylate (CID 44719363) is 2-(dimethylamino)ethyl 1,6-dimethylpiperidine-2-carboxylate.
What is the SMILES notation for 2-(dimethylamino)ethyl 1,6-dimethylpiperidine-2-carboxylate?
The canonical SMILES for 2-(dimethylamino)ethyl 1,6-dimethylpiperidine-2-carboxylate is CC1CCCC(C(=O)OCCN(C)C)N1C.
What is the InChIKey of 2-(dimethylamino)ethyl 1,6-dimethylpiperidine-2-carboxylate?
The InChIKey is IXKDISULCNPINS-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H24N2O2/c1-10-6-5-7-11(14(10)4)12(15)16-9-8-13(2)3/h10-11H,5-9H2,1-4H3.
What are the key properties of 2-(dimethylamino)ethyl 1,6-dimethylpiperidine-2-carboxylate?
2-(dimethylamino)ethyl 1,6-dimethylpiperidine-2-carboxylate has a molecular weight of 228.34 g/mol, XLogP of 0.96, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(dimethylamino)ethyl 1,6-dimethylpiperidine-2-carboxylate is sourced from PubChem (CID 44719363), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).