1-[3-(3-ethyloxiran-2-yl)-2-methylpropyl]piperidine

C13H25NO — CID 143175870

IUPAC1-[3-(3-ethyloxiran-2-yl)-2-methylpropyl]piperidine
SMILESCCC1OC1CC(C)CN1CCCCC1
InChIInChI=1S/C13H25NO/c1-3-12-13(15-12)9-11(2)10-14-7-5-4-6-8-14/h11-13H,3-10H2,1-2H3
InChIKeyWXZMFTVLIMCMNB-UHFFFAOYSA-N
MW211.35 g/mol
LogP2.68
Rot. Bonds5

About 1-[3-(3-ethyloxiran-2-yl)-2-methylpropyl]piperidine

1-[3-(3-ethyloxiran-2-yl)-2-methylpropyl]piperidine (PubChem CID 143175870) has the molecular formula C13H25NO and a molecular weight of 211.35 g/mol. Its IUPAC name is 1-[3-(3-ethyloxiran-2-yl)-2-methylpropyl]piperidine.

Molecular Properties

Compound Name1-[3-(3-ethyloxiran-2-yl)-2-methylpropyl]piperidine
PubChem CID143175870
Molecular FormulaC13H25NO
Molecular Weight211.35 g/mol
Exact Mass211.19
IUPAC Name1-[3-(3-ethyloxiran-2-yl)-2-methylpropyl]piperidine
SMILESCCC1OC1CC(C)CN1CCCCC1
InChIInChI=1S/C13H25NO/c1-3-12-13(15-12)9-11(2)10-14-7-5-4-6-8-14/h11-13H,3-10H2,1-2H3
InChIKeyWXZMFTVLIMCMNB-UHFFFAOYSA-N
XLogP2.68
TPSA15.77 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.35
LogP ≤ 52.68
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

1-(3-bromo-2-methylpropyl)piperidine;hydrobromide
CID 139026359
1-(2-methylpropyl)piperidine;1-(2-methylpropyl)pyrrolidine
CID 159983719
3-methyl-N-(1-piperidin-1-ylpropan-2-yl)cyclohexan-1-amine
CID 43434988
1-ethyl-N-(2-methyl-3-piperidin-1-ylpropyl)piperidin-4-amine
CID 54906375
4-methyl-5-piperidin-1-ylpentanal
CID 142529558
N-(2-methyl-3-piperidin-1-ylpropyl)formamide
CID 64992840
2,2-dimethyl-N-(2-methyl-3-piperidin-1-ylpropyl)-1,3-dioxan-5-amine
CID 106658667
N-ethyl-N,3-dimethyl-4-piperidin-1-ylbutan-1-amine
CID 171788339
1-(azacyclododec-1-yl)propan-2-ol
CID 58868254
5-methyl-N-(1-piperidin-1-ylpropan-2-yl)hexan-2-amine
CID 43749079
1-[[(2S,3S)-3-propyloxiran-2-yl]methyl]piperidine
CID 10035282
N-(1-cyclopropylpropyl)-2-methyl-3-piperidin-1-ylpropan-1-amine
CID 64918005

Frequently Asked Questions

What is the IUPAC name of 1-[3-(3-ethyloxiran-2-yl)-2-methylpropyl]piperidine?
The IUPAC name of 1-[3-(3-ethyloxiran-2-yl)-2-methylpropyl]piperidine (CID 143175870) is 1-[3-(3-ethyloxiran-2-yl)-2-methylpropyl]piperidine.
What is the SMILES notation for 1-[3-(3-ethyloxiran-2-yl)-2-methylpropyl]piperidine?
The canonical SMILES for 1-[3-(3-ethyloxiran-2-yl)-2-methylpropyl]piperidine is CCC1OC1CC(C)CN1CCCCC1.
What is the InChIKey of 1-[3-(3-ethyloxiran-2-yl)-2-methylpropyl]piperidine?
The InChIKey is WXZMFTVLIMCMNB-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H25NO/c1-3-12-13(15-12)9-11(2)10-14-7-5-4-6-8-14/h11-13H,3-10H2,1-2H3.
What are the key properties of 1-[3-(3-ethyloxiran-2-yl)-2-methylpropyl]piperidine?
1-[3-(3-ethyloxiran-2-yl)-2-methylpropyl]piperidine has a molecular weight of 211.35 g/mol, XLogP of 2.68, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-(3-ethyloxiran-2-yl)-2-methylpropyl]piperidine is sourced from PubChem (CID 143175870), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).