2-[(1-ethylpiperidin-4-yl)methyl]-4,4-dimethyl-1,3-oxazolidine;hydrochloride

C13H27ClN2O — CID 117227797

IUPAC2-[(1-ethylpiperidin-4-yl)methyl]-4,4-dimethyl-1,3-oxazolidine;hydrochloride
SMILESCCN1CCC(CC2NC(C)(C)CO2)CC1.Cl
InChIInChI=1S/C13H26N2O.ClH/c1-4-15-7-5-11(6-8-15)9-12-14-13(2,3)10-16-12;/h11-12,14H,4-10H2,1-3H3;1H
InChIKeyRLTZWSJEROTQPU-UHFFFAOYSA-N
MW262.82 g/mol
LogP2.25
Rot. Bonds3

About 2-[(1-ethylpiperidin-4-yl)methyl]-4,4-dimethyl-1,3-oxazolidine;hydrochloride

2-[(1-ethylpiperidin-4-yl)methyl]-4,4-dimethyl-1,3-oxazolidine;hydrochloride (PubChem CID 117227797) has the molecular formula C13H27ClN2O and a molecular weight of 262.82 g/mol. Its IUPAC name is 2-[(1-ethylpiperidin-4-yl)methyl]-4,4-dimethyl-1,3-oxazolidine;hydrochloride.

Molecular Properties

Compound Name2-[(1-ethylpiperidin-4-yl)methyl]-4,4-dimethyl-1,3-oxazolidine;hydrochloride
PubChem CID117227797
Molecular FormulaC13H27ClN2O
Molecular Weight262.82 g/mol
Exact Mass262.18
IUPAC Name2-[(1-ethylpiperidin-4-yl)methyl]-4,4-dimethyl-1,3-oxazolidine;hydrochloride
SMILESCCN1CCC(CC2NC(C)(C)CO2)CC1.Cl
InChIInChI=1S/C13H26N2O.ClH/c1-4-15-7-5-11(6-8-15)9-12-14-13(2,3)10-16-12;/h11-12,14H,4-10H2,1-3H3;1H
InChIKeyRLTZWSJEROTQPU-UHFFFAOYSA-N
XLogP2.25
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.82
LogP ≤ 52.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 2-[(1-ethylpiperidin-4-yl)methyl]-4,4-dimethyl-1,3-oxazolidine;hydrochloride with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-[(1-ethylpiperidin-4-yl)methyl]-4,4-dimethyl-1,3-oxazolidine;hydrochloride?
The IUPAC name of 2-[(1-ethylpiperidin-4-yl)methyl]-4,4-dimethyl-1,3-oxazolidine;hydrochloride (CID 117227797) is 2-[(1-ethylpiperidin-4-yl)methyl]-4,4-dimethyl-1,3-oxazolidine;hydrochloride.
What is the SMILES notation for 2-[(1-ethylpiperidin-4-yl)methyl]-4,4-dimethyl-1,3-oxazolidine;hydrochloride?
The canonical SMILES for 2-[(1-ethylpiperidin-4-yl)methyl]-4,4-dimethyl-1,3-oxazolidine;hydrochloride is CCN1CCC(CC2NC(C)(C)CO2)CC1.Cl.
What is the InChIKey of 2-[(1-ethylpiperidin-4-yl)methyl]-4,4-dimethyl-1,3-oxazolidine;hydrochloride?
The InChIKey is RLTZWSJEROTQPU-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H26N2O.ClH/c1-4-15-7-5-11(6-8-15)9-12-14-13(2,3)10-16-12;/h11-12,14H,4-10H2,1-3H3;1H.
What are the key properties of 2-[(1-ethylpiperidin-4-yl)methyl]-4,4-dimethyl-1,3-oxazolidine;hydrochloride?
2-[(1-ethylpiperidin-4-yl)methyl]-4,4-dimethyl-1,3-oxazolidine;hydrochloride has a molecular weight of 262.82 g/mol, XLogP of 2.25, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(1-ethylpiperidin-4-yl)methyl]-4,4-dimethyl-1,3-oxazolidine;hydrochloride is sourced from PubChem (CID 117227797), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).