4,4-dimethyl-2-(1-propan-2-ylpiperidin-3-yl)-1,3-oxazolidine;hydrochloride

C13H27ClN2O — CID 117227855

IUPAC4,4-dimethyl-2-(1-propan-2-ylpiperidin-3-yl)-1,3-oxazolidine;hydrochloride
SMILESCC(C)N1CCCC(C2NC(C)(C)CO2)C1.Cl
InChIInChI=1S/C13H26N2O.ClH/c1-10(2)15-7-5-6-11(8-15)12-14-13(3,4)9-16-12;/h10-12,14H,5-9H2,1-4H3;1H
InChIKeyNDEPIMRKDYDLSI-UHFFFAOYSA-N
MW262.82 g/mol
LogP2.25
Rot. Bonds2

About 4,4-dimethyl-2-(1-propan-2-ylpiperidin-3-yl)-1,3-oxazolidine;hydrochloride

4,4-dimethyl-2-(1-propan-2-ylpiperidin-3-yl)-1,3-oxazolidine;hydrochloride (PubChem CID 117227855) has the molecular formula C13H27ClN2O and a molecular weight of 262.82 g/mol. Its IUPAC name is 4,4-dimethyl-2-(1-propan-2-ylpiperidin-3-yl)-1,3-oxazolidine;hydrochloride.

Molecular Properties

Compound Name4,4-dimethyl-2-(1-propan-2-ylpiperidin-3-yl)-1,3-oxazolidine;hydrochloride
PubChem CID117227855
Molecular FormulaC13H27ClN2O
Molecular Weight262.82 g/mol
Exact Mass262.18
IUPAC Name4,4-dimethyl-2-(1-propan-2-ylpiperidin-3-yl)-1,3-oxazolidine;hydrochloride
SMILESCC(C)N1CCCC(C2NC(C)(C)CO2)C1.Cl
InChIInChI=1S/C13H26N2O.ClH/c1-10(2)15-7-5-6-11(8-15)12-14-13(3,4)9-16-12;/h10-12,14H,5-9H2,1-4H3;1H
InChIKeyNDEPIMRKDYDLSI-UHFFFAOYSA-N
XLogP2.25
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
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 4,4-dimethyl-2-(1-propan-2-ylpiperidin-3-yl)-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

Related Compounds

2-cyclobutyl-4,4-dimethyl-1,3-oxazolidine
CID 117228568
4,4-dimethyl-2-(1-propan-2-ylpyrrolidin-2-yl)-1,3-oxazolidine;hydrochloride
CID 117227911
(4aS,8aR)-3,3,7,7-tetramethyl-2,4,4a,6,8,8a-hexahydro-[1,4]oxazino[3,2-b][1,4]oxazine
CID 139225414
(2R)-2-[(2S)-4,4-dimethyl-1,3-oxazolidin-2-yl]-4,4-dimethyl-1,3-oxazolidine
CID 139225415
1-propan-2-yl-3-(1-propan-2-ylpiperidin-4-yl)piperidine
CID 171743044
4,4-dimethyl-2-(thiolan-3-yl)-1,3-oxazolidine;hydrochloride
CID 117227603
4-methyl-2-(1-propan-2-ylpyrrolidin-3-yl)-1,3-oxazolidine;hydrochloride
CID 117227627
3-(2-methylthiiran-2-yl)-1-propan-2-ylpiperidine
CID 155088145
5-methyl-2-(1-propan-2-ylpyrrolidin-3-yl)-1,3-oxazinane
CID 117226185
fluoromethane;1-propan-2-ylpiperidin-3-ol
CID 176976990
ethane;2-propan-2-yl-1,3,3a,4,5,6,7,7a-octahydroisoindole
CID 159480431
methyl 2-methyl-4-(1-propan-2-ylpiperidin-3-yl)pyrrolidine-2-carboxylate
CID 117269976

Frequently Asked Questions

What is the IUPAC name of 4,4-dimethyl-2-(1-propan-2-ylpiperidin-3-yl)-1,3-oxazolidine;hydrochloride?
The IUPAC name of 4,4-dimethyl-2-(1-propan-2-ylpiperidin-3-yl)-1,3-oxazolidine;hydrochloride (CID 117227855) is 4,4-dimethyl-2-(1-propan-2-ylpiperidin-3-yl)-1,3-oxazolidine;hydrochloride.
What is the SMILES notation for 4,4-dimethyl-2-(1-propan-2-ylpiperidin-3-yl)-1,3-oxazolidine;hydrochloride?
The canonical SMILES for 4,4-dimethyl-2-(1-propan-2-ylpiperidin-3-yl)-1,3-oxazolidine;hydrochloride is CC(C)N1CCCC(C2NC(C)(C)CO2)C1.Cl.
What is the InChIKey of 4,4-dimethyl-2-(1-propan-2-ylpiperidin-3-yl)-1,3-oxazolidine;hydrochloride?
The InChIKey is NDEPIMRKDYDLSI-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H26N2O.ClH/c1-10(2)15-7-5-6-11(8-15)12-14-13(3,4)9-16-12;/h10-12,14H,5-9H2,1-4H3;1H.
What are the key properties of 4,4-dimethyl-2-(1-propan-2-ylpiperidin-3-yl)-1,3-oxazolidine;hydrochloride?
4,4-dimethyl-2-(1-propan-2-ylpiperidin-3-yl)-1,3-oxazolidine;hydrochloride has a molecular weight of 262.82 g/mol, XLogP of 2.25, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4,4-dimethyl-2-(1-propan-2-ylpiperidin-3-yl)-1,3-oxazolidine;hydrochloride is sourced from PubChem (CID 117227855), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).