1-(2,2-diethoxyethyl)-3-methoxy-3-methylpiperidine

C13H27NO3 — CID 107393619

IUPAC1-(2,2-diethoxyethyl)-3-methoxy-3-methylpiperidine
SMILESCCOC(CN1CCCC(C)(OC)C1)OCC
InChIInChI=1S/C13H27NO3/c1-5-16-12(17-6-2)10-14-9-7-8-13(3,11-14)15-4/h12H,5-11H2,1-4H3
InChIKeyDHCMGNDCWXWAHN-UHFFFAOYSA-N
MW245.36 g/mol
LogP1.89
Rot. Bonds7

About 1-(2,2-diethoxyethyl)-3-methoxy-3-methylpiperidine

1-(2,2-diethoxyethyl)-3-methoxy-3-methylpiperidine (PubChem CID 107393619) has the molecular formula C13H27NO3 and a molecular weight of 245.36 g/mol. Its IUPAC name is 1-(2,2-diethoxyethyl)-3-methoxy-3-methylpiperidine.

Molecular Properties

Compound Name1-(2,2-diethoxyethyl)-3-methoxy-3-methylpiperidine
PubChem CID107393619
Molecular FormulaC13H27NO3
Molecular Weight245.36 g/mol
Exact Mass245.20
IUPAC Name1-(2,2-diethoxyethyl)-3-methoxy-3-methylpiperidine
SMILESCCOC(CN1CCCC(C)(OC)C1)OCC
InChIInChI=1S/C13H27NO3/c1-5-16-12(17-6-2)10-14-9-7-8-13(3,11-14)15-4/h12H,5-11H2,1-4H3
InChIKeyDHCMGNDCWXWAHN-UHFFFAOYSA-N
XLogP1.89
TPSA30.93 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.36
LogP ≤ 51.89
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Related Compounds

1-(3-methoxy-3-methylpiperidin-1-yl)-3-methylbutan-2-ol
CID 107394547
1-(2,2-diethoxyethyl)-4-methylazepan-4-ol
CID 107405290
1-(2-bromo-3,3,3-trifluoropropyl)-3-methoxy-3-methylpiperidine
CID 107394421
1-(3-methoxy-3-methylpiperidin-1-yl)-N-propylpentan-2-amine
CID 107391840
5-(3-methoxy-3-methylpiperidin-1-yl)-4-methylpentan-1-amine
CID 107393262
2-(3-methoxy-3-methylpiperidin-1-yl)ethanethiol
CID 107396245
3-(3-methoxy-3-methylpiperidin-1-yl)-2-(propylamino)propanenitrile
CID 107394634
1-cyclohexyl-N-ethyl-2-(3-methoxy-3-methylpiperidin-1-yl)ethanamine
CID 107391751
2-(3-methoxy-3-methylpiperidin-1-yl)acetonitrile
CID 107392603
3-(3-methoxy-3-methylpiperidin-1-yl)-2-(propylamino)propanamide
CID 107394805
1-(2,2-diethoxyethyl)-4-ethyl-4-methylpiperidine
CID 63619222
3-(3-methoxy-3-methylpiperidin-1-yl)-2-(propan-2-ylamino)propanamide
CID 107394680

Frequently Asked Questions

What is the IUPAC name of 1-(2,2-diethoxyethyl)-3-methoxy-3-methylpiperidine?
The IUPAC name of 1-(2,2-diethoxyethyl)-3-methoxy-3-methylpiperidine (CID 107393619) is 1-(2,2-diethoxyethyl)-3-methoxy-3-methylpiperidine.
What is the SMILES notation for 1-(2,2-diethoxyethyl)-3-methoxy-3-methylpiperidine?
The canonical SMILES for 1-(2,2-diethoxyethyl)-3-methoxy-3-methylpiperidine is CCOC(CN1CCCC(C)(OC)C1)OCC.
What is the InChIKey of 1-(2,2-diethoxyethyl)-3-methoxy-3-methylpiperidine?
The InChIKey is DHCMGNDCWXWAHN-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H27NO3/c1-5-16-12(17-6-2)10-14-9-7-8-13(3,11-14)15-4/h12H,5-11H2,1-4H3.
What are the key properties of 1-(2,2-diethoxyethyl)-3-methoxy-3-methylpiperidine?
1-(2,2-diethoxyethyl)-3-methoxy-3-methylpiperidine has a molecular weight of 245.36 g/mol, XLogP of 1.89, 7 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,2-diethoxyethyl)-3-methoxy-3-methylpiperidine is sourced from PubChem (CID 107393619), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).