1-(2,2-diethoxyethyl)-4-ethyl-4-methylpiperidine

C14H29NO2 — CID 63619222

IUPAC1-(2,2-diethoxyethyl)-4-ethyl-4-methylpiperidine
SMILESCCOC(CN1CCC(C)(CC)CC1)OCC
InChIInChI=1S/C14H29NO2/c1-5-14(4)8-10-15(11-9-14)12-13(16-6-2)17-7-3/h13H,5-12H2,1-4H3
InChIKeyIMPUFBJWPCAFHE-UHFFFAOYSA-N
MW243.39 g/mol
LogP2.90
Rot. Bonds7

About 1-(2,2-diethoxyethyl)-4-ethyl-4-methylpiperidine

1-(2,2-diethoxyethyl)-4-ethyl-4-methylpiperidine (PubChem CID 63619222) has the molecular formula C14H29NO2 and a molecular weight of 243.39 g/mol. Its IUPAC name is 1-(2,2-diethoxyethyl)-4-ethyl-4-methylpiperidine.

Molecular Properties

Compound Name1-(2,2-diethoxyethyl)-4-ethyl-4-methylpiperidine
PubChem CID63619222
Molecular FormulaC14H29NO2
Molecular Weight243.39 g/mol
Exact Mass243.22
IUPAC Name1-(2,2-diethoxyethyl)-4-ethyl-4-methylpiperidine
SMILESCCOC(CN1CCC(C)(CC)CC1)OCC
InChIInChI=1S/C14H29NO2/c1-5-14(4)8-10-15(11-9-14)12-13(16-6-2)17-7-3/h13H,5-12H2,1-4H3
InChIKeyIMPUFBJWPCAFHE-UHFFFAOYSA-N
XLogP2.90
TPSA21.70 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.39
LogP ≤ 52.90
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

1-(2,2-diethoxyethyl)-4-methylazepan-4-ol
CID 107405290
1-(2,2-diethoxyethyl)-4-(2-methylpropyl)piperazine
CID 55248399
3-(4-ethyl-4-methylpiperidin-1-yl)-2-methylpropan-1-ol
CID 115872959
1-(2,2-diethoxyethyl)-3-methoxy-3-methylpiperidine
CID 107393619
4-(2,2-diethoxyethyl)-1,4-thiazinane 1,1-dioxide
CID 63619012
1-cyclopropyl-4-(2,2-diethoxyethyl)piperazine
CID 63619023
3-amino-1-(2,2-diethoxyethyl)pyrrolidine-3-carboxylic acid
CID 107324566
1-(2,2-diethoxyethyl)-4-propylpiperidine
CID 63617165
1'-(2,2-diethoxyethyl)-5,6-bis(propan-2-yloxymethyl)spiro[1,3-dihydroindene-2,4'-piperidine]
CID 176781395
3-(4-ethyl-4-methylpiperidin-1-yl)-N'-hydroxy-2-methylpropanimidamide
CID 76986711
1-(4-ethyl-4-methylpiperidin-1-yl)-N-propylpentan-2-amine
CID 63468229
2-[(4-ethyl-4-methylpiperidin-1-yl)methyl]-4,4-dimethylpentan-1-amine
CID 107473432

Frequently Asked Questions

What is the IUPAC name of 1-(2,2-diethoxyethyl)-4-ethyl-4-methylpiperidine?
The IUPAC name of 1-(2,2-diethoxyethyl)-4-ethyl-4-methylpiperidine (CID 63619222) is 1-(2,2-diethoxyethyl)-4-ethyl-4-methylpiperidine.
What is the SMILES notation for 1-(2,2-diethoxyethyl)-4-ethyl-4-methylpiperidine?
The canonical SMILES for 1-(2,2-diethoxyethyl)-4-ethyl-4-methylpiperidine is CCOC(CN1CCC(C)(CC)CC1)OCC.
What is the InChIKey of 1-(2,2-diethoxyethyl)-4-ethyl-4-methylpiperidine?
The InChIKey is IMPUFBJWPCAFHE-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H29NO2/c1-5-14(4)8-10-15(11-9-14)12-13(16-6-2)17-7-3/h13H,5-12H2,1-4H3.
What are the key properties of 1-(2,2-diethoxyethyl)-4-ethyl-4-methylpiperidine?
1-(2,2-diethoxyethyl)-4-ethyl-4-methylpiperidine has a molecular weight of 243.39 g/mol, XLogP of 2.90, 7 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,2-diethoxyethyl)-4-ethyl-4-methylpiperidine is sourced from PubChem (CID 63619222), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).