ethyl 1,4-dimethylpiperidine-4-carboxylate

C10H19NO2 — CID 53428604

IUPACethyl 1,4-dimethylpiperidine-4-carboxylate
SMILESCCOC(=O)C1(C)CCN(C)CC1
InChIInChI=1S/C10H19NO2/c1-4-13-9(12)10(2)5-7-11(3)8-6-10/h4-8H2,1-3H3
InChIKeyNJWOTEINRCWFRZ-UHFFFAOYSA-N
MW185.27 g/mol
LogP1.28
Rot. Bonds2

About ethyl 1,4-dimethylpiperidine-4-carboxylate

ethyl 1,4-dimethylpiperidine-4-carboxylate (PubChem CID 53428604) has the molecular formula C10H19NO2 and a molecular weight of 185.27 g/mol. Its IUPAC name is ethyl 1,4-dimethylpiperidine-4-carboxylate.

Molecular Properties

Compound Nameethyl 1,4-dimethylpiperidine-4-carboxylate
PubChem CID53428604
Molecular FormulaC10H19NO2
Molecular Weight185.27 g/mol
Exact Mass185.14
IUPAC Nameethyl 1,4-dimethylpiperidine-4-carboxylate
SMILESCCOC(=O)C1(C)CCN(C)CC1
InChIInChI=1S/C10H19NO2/c1-4-13-9(12)10(2)5-7-11(3)8-6-10/h4-8H2,1-3H3
InChIKeyNJWOTEINRCWFRZ-UHFFFAOYSA-N
XLogP1.28
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500185.27
LogP ≤ 51.28
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of ethyl 1,4-dimethylpiperidine-4-carboxylate?
The IUPAC name of ethyl 1,4-dimethylpiperidine-4-carboxylate (CID 53428604) is ethyl 1,4-dimethylpiperidine-4-carboxylate.
What is the SMILES notation for ethyl 1,4-dimethylpiperidine-4-carboxylate?
The canonical SMILES for ethyl 1,4-dimethylpiperidine-4-carboxylate is CCOC(=O)C1(C)CCN(C)CC1.
What is the InChIKey of ethyl 1,4-dimethylpiperidine-4-carboxylate?
The InChIKey is NJWOTEINRCWFRZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H19NO2/c1-4-13-9(12)10(2)5-7-11(3)8-6-10/h4-8H2,1-3H3.
What are the key properties of ethyl 1,4-dimethylpiperidine-4-carboxylate?
ethyl 1,4-dimethylpiperidine-4-carboxylate has a molecular weight of 185.27 g/mol, XLogP of 1.28, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 1,4-dimethylpiperidine-4-carboxylate is sourced from PubChem (CID 53428604), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).