ethyl 1-(5-bromo-3-ethyl-2-pyridinyl)-3,4-dimethylpiperidine-4-carboxylate

C17H25BrN2O2 — CID 123914771

IUPACethyl 1-(5-bromo-3-ethyl-2-pyridinyl)-3,4-dimethylpiperidine-4-carboxylate
SMILESCCOC(=O)C1(C)CCN(c2ncc(Br)cc2CC)CC1C
InChIInChI=1S/C17H25BrN2O2/c1-5-13-9-14(18)10-19-15(13)20-8-7-17(4,12(3)11-20)16(21)22-6-2/h9-10,12H,5-8,11H2,1-4H3
InChIKeySUEVEPNHFGZALG-UHFFFAOYSA-N
MW369.30 g/mol
LogP3.82
Rot. Bonds4

About ethyl 1-(5-bromo-3-ethyl-2-pyridinyl)-3,4-dimethylpiperidine-4-carboxylate

ethyl 1-(5-bromo-3-ethyl-2-pyridinyl)-3,4-dimethylpiperidine-4-carboxylate (PubChem CID 123914771) has the molecular formula C17H25BrN2O2 and a molecular weight of 369.30 g/mol. Its IUPAC name is ethyl 1-(5-bromo-3-ethyl-2-pyridinyl)-3,4-dimethylpiperidine-4-carboxylate.

Molecular Properties

Compound Nameethyl 1-(5-bromo-3-ethyl-2-pyridinyl)-3,4-dimethylpiperidine-4-carboxylate
PubChem CID123914771
Molecular FormulaC17H25BrN2O2
Molecular Weight369.30 g/mol
Exact Mass368.11
IUPAC Nameethyl 1-(5-bromo-3-ethyl-2-pyridinyl)-3,4-dimethylpiperidine-4-carboxylate
SMILESCCOC(=O)C1(C)CCN(c2ncc(Br)cc2CC)CC1C
InChIInChI=1S/C17H25BrN2O2/c1-5-13-9-14(18)10-19-15(13)20-8-7-17(4,12(3)11-20)16(21)22-6-2/h9-10,12H,5-8,11H2,1-4H3
InChIKeySUEVEPNHFGZALG-UHFFFAOYSA-N
XLogP3.82
TPSA42.43 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.30
LogP ≤ 53.82
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of ethyl 1-(5-bromo-3-ethyl-2-pyridinyl)-3,4-dimethylpiperidine-4-carboxylate?
The IUPAC name of ethyl 1-(5-bromo-3-ethyl-2-pyridinyl)-3,4-dimethylpiperidine-4-carboxylate (CID 123914771) is ethyl 1-(5-bromo-3-ethyl-2-pyridinyl)-3,4-dimethylpiperidine-4-carboxylate.
What is the SMILES notation for ethyl 1-(5-bromo-3-ethyl-2-pyridinyl)-3,4-dimethylpiperidine-4-carboxylate?
The canonical SMILES for ethyl 1-(5-bromo-3-ethyl-2-pyridinyl)-3,4-dimethylpiperidine-4-carboxylate is CCOC(=O)C1(C)CCN(c2ncc(Br)cc2CC)CC1C.
What is the InChIKey of ethyl 1-(5-bromo-3-ethyl-2-pyridinyl)-3,4-dimethylpiperidine-4-carboxylate?
The InChIKey is SUEVEPNHFGZALG-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25BrN2O2/c1-5-13-9-14(18)10-19-15(13)20-8-7-17(4,12(3)11-20)16(21)22-6-2/h9-10,12H,5-8,11H2,1-4H3.
What are the key properties of ethyl 1-(5-bromo-3-ethyl-2-pyridinyl)-3,4-dimethylpiperidine-4-carboxylate?
ethyl 1-(5-bromo-3-ethyl-2-pyridinyl)-3,4-dimethylpiperidine-4-carboxylate has a molecular weight of 369.30 g/mol, XLogP of 3.82, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 1-(5-bromo-3-ethyl-2-pyridinyl)-3,4-dimethylpiperidine-4-carboxylate is sourced from PubChem (CID 123914771), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).