(3S)-3-methyl-3-(oxan-2-yloxy)piperidine

C11H21NO2 — CID 169225357

IUPAC(3S)-3-methyl-3-(oxan-2-yloxy)piperidine
SMILESC[C@]1(OC2CCCCO2)CCCNC1
InChIInChI=1S/C11H21NO2/c1-11(6-4-7-12-9-11)14-10-5-2-3-8-13-10/h10,12H,2-9H2,1H3/t10?,11-/m0/s1
InChIKeyXEUYAMPMHUXCPR-DTIOYNMSSA-N
MW199.29 g/mol
LogP1.67
Rot. Bonds2

About (3S)-3-methyl-3-(oxan-2-yloxy)piperidine

(3S)-3-methyl-3-(oxan-2-yloxy)piperidine (PubChem CID 169225357) has the molecular formula C11H21NO2 and a molecular weight of 199.29 g/mol. Its IUPAC name is (3S)-3-methyl-3-(oxan-2-yloxy)piperidine.

Molecular Properties

Compound Name(3S)-3-methyl-3-(oxan-2-yloxy)piperidine
PubChem CID169225357
Molecular FormulaC11H21NO2
Molecular Weight199.29 g/mol
Exact Mass199.16
IUPAC Name(3S)-3-methyl-3-(oxan-2-yloxy)piperidine
SMILESC[C@]1(OC2CCCCO2)CCCNC1
InChIInChI=1S/C11H21NO2/c1-11(6-4-7-12-9-11)14-10-5-2-3-8-13-10/h10,12H,2-9H2,1H3/t10?,11-/m0/s1
InChIKeyXEUYAMPMHUXCPR-DTIOYNMSSA-N
XLogP1.67
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500199.29
LogP ≤ 51.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-methoxy-6-methyl-6-[6-methyl-6-(oxonan-2-yloxy)oxecan-2-yl]oxyoxecane
CID 123438419
1-[4,4-dimethyl-1-(oxan-2-yloxy)cyclohexyl]ethanamine
CID 70625745
2-(1-ethynylcyclohexyl)oxyoxane
CID 14148172
2-[4,4-dimethyl-1-(oxan-2-yloxy)cyclohexyl]ethanamine
CID 23339569
2-methyl-2-(oxan-2-yl)pyrrolidine
CID 105434283
2-[(1,4-dimethylcyclohexyl)methoxy]oxane
CID 15471073
3-methyl-3-(3,3,3-trifluoropropoxy)piperidine
CID 107385578
methyl 1-(oxan-2-yloxy)cyclobutane-1-carboxylate
CID 169100738
2-methoxyoxepane
CID 24974084
2-[1-(methylsulfanyloxymethyl)cyclobutyl]oxyoxane
CID 146650975
4-ethyl-2-[(3-methylpiperidin-3-yl)oxymethyl]morpholine
CID 107385569
5-methoxy-5-methylazonane
CID 137425996

Frequently Asked Questions

What is the IUPAC name of (3S)-3-methyl-3-(oxan-2-yloxy)piperidine?
The IUPAC name of (3S)-3-methyl-3-(oxan-2-yloxy)piperidine (CID 169225357) is (3S)-3-methyl-3-(oxan-2-yloxy)piperidine.
What is the SMILES notation for (3S)-3-methyl-3-(oxan-2-yloxy)piperidine?
The canonical SMILES for (3S)-3-methyl-3-(oxan-2-yloxy)piperidine is C[C@]1(OC2CCCCO2)CCCNC1.
What is the InChIKey of (3S)-3-methyl-3-(oxan-2-yloxy)piperidine?
The InChIKey is XEUYAMPMHUXCPR-DTIOYNMSSA-N. The full InChI is InChI=1S/C11H21NO2/c1-11(6-4-7-12-9-11)14-10-5-2-3-8-13-10/h10,12H,2-9H2,1H3/t10?,11-/m0/s1.
What are the key properties of (3S)-3-methyl-3-(oxan-2-yloxy)piperidine?
(3S)-3-methyl-3-(oxan-2-yloxy)piperidine has a molecular weight of 199.29 g/mol, XLogP of 1.67, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-3-methyl-3-(oxan-2-yloxy)piperidine is sourced from PubChem (CID 169225357), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).