(3S)-1-methyl-3-[[(2S)-oxiran-2-yl]methoxy]piperidine

C9H17NO2 — CID 97179782

IUPAC(3S)-1-methyl-3-[[(2S)-oxiran-2-yl]methoxy]piperidine
SMILESCN1CCC[C@H](OC[C@@H]2CO2)C1
InChIInChI=1S/C9H17NO2/c1-10-4-2-3-8(5-10)11-6-9-7-12-9/h8-9H,2-7H2,1H3/t8-,9+/m0/s1
InChIKeySDFQIJZSMFBKDY-DTWKUNHWSA-N
MW171.24 g/mol
LogP0.50
Rot. Bonds3

About (3S)-1-methyl-3-[[(2S)-oxiran-2-yl]methoxy]piperidine

(3S)-1-methyl-3-[[(2S)-oxiran-2-yl]methoxy]piperidine (PubChem CID 97179782) has the molecular formula C9H17NO2 and a molecular weight of 171.24 g/mol. Its IUPAC name is (3S)-1-methyl-3-[[(2S)-oxiran-2-yl]methoxy]piperidine.

Molecular Properties

Compound Name(3S)-1-methyl-3-[[(2S)-oxiran-2-yl]methoxy]piperidine
PubChem CID97179782
Molecular FormulaC9H17NO2
Molecular Weight171.24 g/mol
Exact Mass171.13
IUPAC Name(3S)-1-methyl-3-[[(2S)-oxiran-2-yl]methoxy]piperidine
SMILESCN1CCC[C@H](OC[C@@H]2CO2)C1
InChIInChI=1S/C9H17NO2/c1-10-4-2-3-8(5-10)11-6-9-7-12-9/h8-9H,2-7H2,1H3/t8-,9+/m0/s1
InChIKeySDFQIJZSMFBKDY-DTWKUNHWSA-N
XLogP0.50
TPSA25.00 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500171.24
LogP ≤ 50.50
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Three-membered_heterocycle', 'substructure': 'N/A'}

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Related Compounds

(3R)-1-methyl-3-[[(2R)-oxiran-2-yl]methoxy]piperidine
CID 124845730
(3R)-3-(2-methoxyethoxy)-1-methylpiperidine
CID 59007577
1-methyl-3-(2-methylpropoxy)piperidine
CID 155123264
(3R)-3-methoxy-1-methylpiperidine
CID 70315605
(1S,5S)-8-methyl-3-[[(2R)-oxiran-2-yl]methoxy]-8-azabicyclo[3.2.1]octane
CID 124554723
O-(1-methylpiperidin-3-yl)hydroxylamine
CID 45087410
4-methyl-2-[[(3S)-piperidin-3-yl]oxymethyl]morpholine
CID 79183215
2-[[4-(methoxymethyl)cyclohexyl]oxymethyl]oxirane
CID 167078198
1-bromo-2-methoxyethane;(3R)-3-(2-methoxyethoxy)-1-methylpiperidine;(3R)-1-methylpiperidin-3-ol
CID 158848539
3-(oxiran-2-ylmethoxy)cyclohexan-1-ol
CID 118671193
3-[(4-chlorophenyl)methoxy]-1-methylpiperidine
CID 59165688
(3S)-3-(methoxymethyl)-1-methylpiperidine
CID 58134332

Frequently Asked Questions

What is the IUPAC name of (3S)-1-methyl-3-[[(2S)-oxiran-2-yl]methoxy]piperidine?
The IUPAC name of (3S)-1-methyl-3-[[(2S)-oxiran-2-yl]methoxy]piperidine (CID 97179782) is (3S)-1-methyl-3-[[(2S)-oxiran-2-yl]methoxy]piperidine.
What is the SMILES notation for (3S)-1-methyl-3-[[(2S)-oxiran-2-yl]methoxy]piperidine?
The canonical SMILES for (3S)-1-methyl-3-[[(2S)-oxiran-2-yl]methoxy]piperidine is CN1CCC[C@H](OC[C@@H]2CO2)C1.
What is the InChIKey of (3S)-1-methyl-3-[[(2S)-oxiran-2-yl]methoxy]piperidine?
The InChIKey is SDFQIJZSMFBKDY-DTWKUNHWSA-N. The full InChI is InChI=1S/C9H17NO2/c1-10-4-2-3-8(5-10)11-6-9-7-12-9/h8-9H,2-7H2,1H3/t8-,9+/m0/s1.
What are the key properties of (3S)-1-methyl-3-[[(2S)-oxiran-2-yl]methoxy]piperidine?
(3S)-1-methyl-3-[[(2S)-oxiran-2-yl]methoxy]piperidine has a molecular weight of 171.24 g/mol, XLogP of 0.50, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-1-methyl-3-[[(2S)-oxiran-2-yl]methoxy]piperidine is sourced from PubChem (CID 97179782), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).