2-(dimethylamino)ethyl 1,4-dimethylpiperidine-2-carboxylate

C12H24N2O2 — CID 19753090

IUPAC2-(dimethylamino)ethyl 1,4-dimethylpiperidine-2-carboxylate
SMILESCC1CCN(C)C(C(=O)OCCN(C)C)C1
InChIInChI=1S/C12H24N2O2/c1-10-5-6-14(4)11(9-10)12(15)16-8-7-13(2)3/h10-11H,5-9H2,1-4H3
InChIKeyKZFFSPBWVMPIFU-UHFFFAOYSA-N
MW228.34 g/mol
LogP0.82
Rot. Bonds4

About 2-(dimethylamino)ethyl 1,4-dimethylpiperidine-2-carboxylate

2-(dimethylamino)ethyl 1,4-dimethylpiperidine-2-carboxylate (PubChem CID 19753090) has the molecular formula C12H24N2O2 and a molecular weight of 228.34 g/mol. Its IUPAC name is 2-(dimethylamino)ethyl 1,4-dimethylpiperidine-2-carboxylate.

Molecular Properties

Compound Name2-(dimethylamino)ethyl 1,4-dimethylpiperidine-2-carboxylate
PubChem CID19753090
Molecular FormulaC12H24N2O2
Molecular Weight228.34 g/mol
Exact Mass228.18
IUPAC Name2-(dimethylamino)ethyl 1,4-dimethylpiperidine-2-carboxylate
SMILESCC1CCN(C)C(C(=O)OCCN(C)C)C1
InChIInChI=1S/C12H24N2O2/c1-10-5-6-14(4)11(9-10)12(15)16-8-7-13(2)3/h10-11H,5-9H2,1-4H3
InChIKeyKZFFSPBWVMPIFU-UHFFFAOYSA-N
XLogP0.82
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 ≤ 50.82
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-(dimethylamino)ethyl 1,4-dimethylpiperidine-2-carboxylate?
The IUPAC name of 2-(dimethylamino)ethyl 1,4-dimethylpiperidine-2-carboxylate (CID 19753090) is 2-(dimethylamino)ethyl 1,4-dimethylpiperidine-2-carboxylate.
What is the SMILES notation for 2-(dimethylamino)ethyl 1,4-dimethylpiperidine-2-carboxylate?
The canonical SMILES for 2-(dimethylamino)ethyl 1,4-dimethylpiperidine-2-carboxylate is CC1CCN(C)C(C(=O)OCCN(C)C)C1.
What is the InChIKey of 2-(dimethylamino)ethyl 1,4-dimethylpiperidine-2-carboxylate?
The InChIKey is KZFFSPBWVMPIFU-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H24N2O2/c1-10-5-6-14(4)11(9-10)12(15)16-8-7-13(2)3/h10-11H,5-9H2,1-4H3.
What are the key properties of 2-(dimethylamino)ethyl 1,4-dimethylpiperidine-2-carboxylate?
2-(dimethylamino)ethyl 1,4-dimethylpiperidine-2-carboxylate has a molecular weight of 228.34 g/mol, XLogP of 0.82, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(dimethylamino)ethyl 1,4-dimethylpiperidine-2-carboxylate is sourced from PubChem (CID 19753090), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).