4-[2-[[(2S)-oxolan-2-yl]methoxy]ethyl]piperidine

C12H23NO2 — CID 26192445

IUPAC4-[2-[[(2S)-oxolan-2-yl]methoxy]ethyl]piperidine
SMILESC1CO[C@H](COCCC2CCNCC2)C1
InChIInChI=1S/C12H23NO2/c1-2-12(15-8-1)10-14-9-5-11-3-6-13-7-4-11/h11-13H,1-10H2/t12-/m0/s1
InChIKeyJTROWEUMRQNJCF-LBPRGKRZSA-N
MW213.32 g/mol
LogP1.57
Rot. Bonds5

About 4-[2-[[(2S)-oxolan-2-yl]methoxy]ethyl]piperidine

4-[2-[[(2S)-oxolan-2-yl]methoxy]ethyl]piperidine (PubChem CID 26192445) has the molecular formula C12H23NO2 and a molecular weight of 213.32 g/mol. Its IUPAC name is 4-[2-[[(2S)-oxolan-2-yl]methoxy]ethyl]piperidine.

Molecular Properties

Compound Name4-[2-[[(2S)-oxolan-2-yl]methoxy]ethyl]piperidine
PubChem CID26192445
Molecular FormulaC12H23NO2
Molecular Weight213.32 g/mol
Exact Mass213.17
IUPAC Name4-[2-[[(2S)-oxolan-2-yl]methoxy]ethyl]piperidine
SMILESC1CO[C@H](COCCC2CCNCC2)C1
InChIInChI=1S/C12H23NO2/c1-2-12(15-8-1)10-14-9-5-11-3-6-13-7-4-11/h11-13H,1-10H2/t12-/m0/s1
InChIKeyJTROWEUMRQNJCF-LBPRGKRZSA-N
XLogP1.57
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.32
LogP ≤ 51.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

3-(oxolan-2-ylmethoxymethyl)pyrrolidine
CID 62372457
2-[2-(oxolan-2-ylmethoxy)ethyl]piperidine
CID 43149956
4-[2-(cyclohexylmethoxy)ethyl]piperidine
CID 62383196
2-[2-(oxan-2-ylmethoxy)ethyl]piperidine
CID 43149954
2-[[(2R)-oxolan-2-yl]methoxy]ethylazanium
CID 7219875
4-(oxolan-2-ylmethoxy)piperidine;hydrochloride
CID 45074945
N-methyl-3-(oxolan-2-ylmethoxy)-N-piperidin-4-ylpropanamide
CID 119441358
N-methyl-N-[2-(oxolan-2-yl)ethyl]-2-piperidin-4-ylethanamine
CID 66272160
2-[5-(oxepan-2-ylmethoxy)pentoxymethyl]oxepane
CID 58879072
4-(oxolan-2-ylmethyl)azepane
CID 126845756
2-[2-(2-methoxyethoxy)ethoxymethyl]oxolane
CID 157159519
3-[2-(oxolan-2-yl)ethyl]pyrrolidine
CID 104680566

Frequently Asked Questions

What is the IUPAC name of 4-[2-[[(2S)-oxolan-2-yl]methoxy]ethyl]piperidine?
The IUPAC name of 4-[2-[[(2S)-oxolan-2-yl]methoxy]ethyl]piperidine (CID 26192445) is 4-[2-[[(2S)-oxolan-2-yl]methoxy]ethyl]piperidine.
What is the SMILES notation for 4-[2-[[(2S)-oxolan-2-yl]methoxy]ethyl]piperidine?
The canonical SMILES for 4-[2-[[(2S)-oxolan-2-yl]methoxy]ethyl]piperidine is C1CO[C@H](COCCC2CCNCC2)C1.
What is the InChIKey of 4-[2-[[(2S)-oxolan-2-yl]methoxy]ethyl]piperidine?
The InChIKey is JTROWEUMRQNJCF-LBPRGKRZSA-N. The full InChI is InChI=1S/C12H23NO2/c1-2-12(15-8-1)10-14-9-5-11-3-6-13-7-4-11/h11-13H,1-10H2/t12-/m0/s1.
What are the key properties of 4-[2-[[(2S)-oxolan-2-yl]methoxy]ethyl]piperidine?
4-[2-[[(2S)-oxolan-2-yl]methoxy]ethyl]piperidine has a molecular weight of 213.32 g/mol, XLogP of 1.57, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-[[(2S)-oxolan-2-yl]methoxy]ethyl]piperidine is sourced from PubChem (CID 26192445), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).