5,5-dimethyl-2-[(1-propan-2-ylpiperidin-4-yl)methyl]-1,3-oxazinane

C15H30N2O — CID 117226361

IUPAC5,5-dimethyl-2-[(1-propan-2-ylpiperidin-4-yl)methyl]-1,3-oxazinane
SMILESCC(C)N1CCC(CC2NCC(C)(C)CO2)CC1
InChIInChI=1S/C15H30N2O/c1-12(2)17-7-5-13(6-8-17)9-14-16-10-15(3,4)11-18-14/h12-14,16H,5-11H2,1-4H3
InChIKeyYVEXRILPRRESKI-UHFFFAOYSA-N
MW254.42 g/mol
LogP2.47
Rot. Bonds3

About 5,5-dimethyl-2-[(1-propan-2-ylpiperidin-4-yl)methyl]-1,3-oxazinane

5,5-dimethyl-2-[(1-propan-2-ylpiperidin-4-yl)methyl]-1,3-oxazinane (PubChem CID 117226361) has the molecular formula C15H30N2O and a molecular weight of 254.42 g/mol. Its IUPAC name is 5,5-dimethyl-2-[(1-propan-2-ylpiperidin-4-yl)methyl]-1,3-oxazinane.

Molecular Properties

Compound Name5,5-dimethyl-2-[(1-propan-2-ylpiperidin-4-yl)methyl]-1,3-oxazinane
PubChem CID117226361
Molecular FormulaC15H30N2O
Molecular Weight254.42 g/mol
Exact Mass254.24
IUPAC Name5,5-dimethyl-2-[(1-propan-2-ylpiperidin-4-yl)methyl]-1,3-oxazinane
SMILESCC(C)N1CCC(CC2NCC(C)(C)CO2)CC1
InChIInChI=1S/C15H30N2O/c1-12(2)17-7-5-13(6-8-17)9-14-16-10-15(3,4)11-18-14/h12-14,16H,5-11H2,1-4H3
InChIKeyYVEXRILPRRESKI-UHFFFAOYSA-N
XLogP2.47
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.42
LogP ≤ 52.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

5,5-dimethyl-2-[(1-propan-2-ylpyrrolidin-3-yl)methyl]-1,3-oxazinane;hydrochloride
CID 117226304
5,5-dimethyl-2-(oxolan-3-ylmethyl)-1,3-oxazinane
CID 117226259
2-[(1-ethylpiperidin-4-yl)methyl]-4,4-dimethyl-1,3-oxazolidine
CID 117227798
2,4,4-trimethyl-2-[(1-propan-2-ylpiperidin-4-yl)methyl]-1,3-oxazolidine;hydrochloride
CID 117227807
2-[(1-ethylpiperidin-4-yl)methyl]-4,4-dimethyl-1,3-oxazolidine;hydrochloride
CID 117227797
5,5-dimethyl-2-(2-piperidin-1-ylethyl)-1,3-oxazinane
CID 117227217
5,5-dimethyl-2-[2-(4-methylpiperazin-1-yl)ethyl]-1,3-oxazinane;hydrochloride
CID 117227196
1-propan-2-yl-4-[(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)methyl]piperidine
CID 155892152
4-(cyclobutylmethyl)-1-propan-2-ylpiperidine;ethane;1-methyl-3-azabicyclo[4.1.0]heptane
CID 176936173
2,4,4-trimethyl-2-[(1-propan-2-ylpyrrolidin-3-yl)methyl]-1,3-oxazolidine;hydrochloride
CID 117227751
[2-[(1-propan-2-ylpiperidin-4-yl)methyl]-1,3-dioxolan-4-yl]methanamine
CID 115094477
2,5-dimethyl-2-[(1-propan-2-ylpiperidin-4-yl)methyl]-1,3-oxazolidine
CID 117228778

Frequently Asked Questions

What is the IUPAC name of 5,5-dimethyl-2-[(1-propan-2-ylpiperidin-4-yl)methyl]-1,3-oxazinane?
The IUPAC name of 5,5-dimethyl-2-[(1-propan-2-ylpiperidin-4-yl)methyl]-1,3-oxazinane (CID 117226361) is 5,5-dimethyl-2-[(1-propan-2-ylpiperidin-4-yl)methyl]-1,3-oxazinane.
What is the SMILES notation for 5,5-dimethyl-2-[(1-propan-2-ylpiperidin-4-yl)methyl]-1,3-oxazinane?
The canonical SMILES for 5,5-dimethyl-2-[(1-propan-2-ylpiperidin-4-yl)methyl]-1,3-oxazinane is CC(C)N1CCC(CC2NCC(C)(C)CO2)CC1.
What is the InChIKey of 5,5-dimethyl-2-[(1-propan-2-ylpiperidin-4-yl)methyl]-1,3-oxazinane?
The InChIKey is YVEXRILPRRESKI-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H30N2O/c1-12(2)17-7-5-13(6-8-17)9-14-16-10-15(3,4)11-18-14/h12-14,16H,5-11H2,1-4H3.
What are the key properties of 5,5-dimethyl-2-[(1-propan-2-ylpiperidin-4-yl)methyl]-1,3-oxazinane?
5,5-dimethyl-2-[(1-propan-2-ylpiperidin-4-yl)methyl]-1,3-oxazinane has a molecular weight of 254.42 g/mol, XLogP of 2.47, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5,5-dimethyl-2-[(1-propan-2-ylpiperidin-4-yl)methyl]-1,3-oxazinane is sourced from PubChem (CID 117226361), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).