3-ethyl-2-(3-methoxypropyl)-1-methylpiperidine

C12H25NO — CID 89265029

IUPAC3-ethyl-2-(3-methoxypropyl)-1-methylpiperidine
SMILESCCC1CCCN(C)C1CCCOC
InChIInChI=1S/C12H25NO/c1-4-11-7-5-9-13(2)12(11)8-6-10-14-3/h11-12H,4-10H2,1-3H3
InChIKeyNFNFTTKXRRWTCY-UHFFFAOYSA-N
MW199.34 g/mol
LogP2.53
Rot. Bonds5

About 3-ethyl-2-(3-methoxypropyl)-1-methylpiperidine

3-ethyl-2-(3-methoxypropyl)-1-methylpiperidine (PubChem CID 89265029) has the molecular formula C12H25NO and a molecular weight of 199.34 g/mol. Its IUPAC name is 3-ethyl-2-(3-methoxypropyl)-1-methylpiperidine.

Molecular Properties

Compound Name3-ethyl-2-(3-methoxypropyl)-1-methylpiperidine
PubChem CID89265029
Molecular FormulaC12H25NO
Molecular Weight199.34 g/mol
Exact Mass199.19
IUPAC Name3-ethyl-2-(3-methoxypropyl)-1-methylpiperidine
SMILESCCC1CCCN(C)C1CCCOC
InChIInChI=1S/C12H25NO/c1-4-11-7-5-9-13(2)12(11)8-6-10-14-3/h11-12H,4-10H2,1-3H3
InChIKeyNFNFTTKXRRWTCY-UHFFFAOYSA-N
XLogP2.53
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500199.34
LogP ≤ 52.53
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 3-ethyl-2-(3-methoxypropyl)-1-methylpiperidine?
The IUPAC name of 3-ethyl-2-(3-methoxypropyl)-1-methylpiperidine (CID 89265029) is 3-ethyl-2-(3-methoxypropyl)-1-methylpiperidine.
What is the SMILES notation for 3-ethyl-2-(3-methoxypropyl)-1-methylpiperidine?
The canonical SMILES for 3-ethyl-2-(3-methoxypropyl)-1-methylpiperidine is CCC1CCCN(C)C1CCCOC.
What is the InChIKey of 3-ethyl-2-(3-methoxypropyl)-1-methylpiperidine?
The InChIKey is NFNFTTKXRRWTCY-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H25NO/c1-4-11-7-5-9-13(2)12(11)8-6-10-14-3/h11-12H,4-10H2,1-3H3.
What are the key properties of 3-ethyl-2-(3-methoxypropyl)-1-methylpiperidine?
3-ethyl-2-(3-methoxypropyl)-1-methylpiperidine has a molecular weight of 199.34 g/mol, XLogP of 2.53, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethyl-2-(3-methoxypropyl)-1-methylpiperidine is sourced from PubChem (CID 89265029), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).