1-[[(2S,3S)-3-propyloxiran-2-yl]methyl]piperidine

C11H21NO — CID 10035282

IUPAC1-[[(2S,3S)-3-propyloxiran-2-yl]methyl]piperidine
SMILESCCC[C@@H]1O[C@H]1CN1CCCCC1
InChIInChI=1S/C11H21NO/c1-2-6-10-11(13-10)9-12-7-4-3-5-8-12/h10-11H,2-9H2,1H3/t10-,11-/m0/s1
InChIKeyQSWTVGSIQNESPF-QWRGUYRKSA-N
MW183.29 g/mol
LogP2.04
Rot. Bonds4

About 1-[[(2S,3S)-3-propyloxiran-2-yl]methyl]piperidine

1-[[(2S,3S)-3-propyloxiran-2-yl]methyl]piperidine (PubChem CID 10035282) has the molecular formula C11H21NO and a molecular weight of 183.29 g/mol. Its IUPAC name is 1-[[(2S,3S)-3-propyloxiran-2-yl]methyl]piperidine.

Molecular Properties

Compound Name1-[[(2S,3S)-3-propyloxiran-2-yl]methyl]piperidine
PubChem CID10035282
Molecular FormulaC11H21NO
Molecular Weight183.29 g/mol
Exact Mass183.16
IUPAC Name1-[[(2S,3S)-3-propyloxiran-2-yl]methyl]piperidine
SMILESCCC[C@@H]1O[C@H]1CN1CCCCC1
InChIInChI=1S/C11H21NO/c1-2-6-10-11(13-10)9-12-7-4-3-5-8-12/h10-11H,2-9H2,1H3/t10-,11-/m0/s1
InChIKeyQSWTVGSIQNESPF-QWRGUYRKSA-N
XLogP2.04
TPSA15.77 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500183.29
LogP ≤ 52.04
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

(4S,5S)-5-(piperidin-1-ylmethyl)-4-propyl-1,3-oxazolidin-2-one
CID 102227097
(2R,3S)-2-butyl-3-propyloxirane
CID 13394975
1-(cyclohexylmethyl)-4-propylazepane
CID 70936958
1-[(1-propylpyrrolidin-2-yl)methyl]piperidine
CID 15626361
2-(chloromethyl)-3-propyloxirane
CID 18324215
1-[3-(3-ethyloxiran-2-yl)-2-methylpropyl]piperidine
CID 143175870
1-[(4-methylcyclohexyl)methyl]piperidine
CID 58936411
1-ethylpiperidine
CID 13007
1-[[(3S)-3,6-dimethylcycloheptyl]methyl]piperidine
CID 137427496
2-(azepan-1-ylmethyl)-N-methyl-4-propylcyclohexan-1-amine
CID 62616400
1-(oxetan-3-ylmethyl)piperidine
CID 57169736
trimethyl-[(3-propyloxiran-2-yl)methyl]azanium
CID 22750416

Frequently Asked Questions

What is the IUPAC name of 1-[[(2S,3S)-3-propyloxiran-2-yl]methyl]piperidine?
The IUPAC name of 1-[[(2S,3S)-3-propyloxiran-2-yl]methyl]piperidine (CID 10035282) is 1-[[(2S,3S)-3-propyloxiran-2-yl]methyl]piperidine.
What is the SMILES notation for 1-[[(2S,3S)-3-propyloxiran-2-yl]methyl]piperidine?
The canonical SMILES for 1-[[(2S,3S)-3-propyloxiran-2-yl]methyl]piperidine is CCC[C@@H]1O[C@H]1CN1CCCCC1.
What is the InChIKey of 1-[[(2S,3S)-3-propyloxiran-2-yl]methyl]piperidine?
The InChIKey is QSWTVGSIQNESPF-QWRGUYRKSA-N. The full InChI is InChI=1S/C11H21NO/c1-2-6-10-11(13-10)9-12-7-4-3-5-8-12/h10-11H,2-9H2,1H3/t10-,11-/m0/s1.
What are the key properties of 1-[[(2S,3S)-3-propyloxiran-2-yl]methyl]piperidine?
1-[[(2S,3S)-3-propyloxiran-2-yl]methyl]piperidine has a molecular weight of 183.29 g/mol, XLogP of 2.04, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[(2S,3S)-3-propyloxiran-2-yl]methyl]piperidine is sourced from PubChem (CID 10035282), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).