[1-(2,2-dimethylpropyl)piperidin-3-yl]-ethoxymethanol

C13H27NO2 — CID 71094295

IUPAC[1-(2,2-dimethylpropyl)piperidin-3-yl]-ethoxymethanol
SMILESCCOC(O)C1CCCN(CC(C)(C)C)C1
InChIInChI=1S/C13H27NO2/c1-5-16-12(15)11-7-6-8-14(9-11)10-13(2,3)4/h11-12,15H,5-10H2,1-4H3
InChIKeyMXMAQGWMUMTNMJ-UHFFFAOYSA-N
MW229.36 g/mol
LogP2.10
Rot. Bonds4

About [1-(2,2-dimethylpropyl)piperidin-3-yl]-ethoxymethanol

[1-(2,2-dimethylpropyl)piperidin-3-yl]-ethoxymethanol (PubChem CID 71094295) has the molecular formula C13H27NO2 and a molecular weight of 229.36 g/mol. Its IUPAC name is [1-(2,2-dimethylpropyl)piperidin-3-yl]-ethoxymethanol.

Molecular Properties

Compound Name[1-(2,2-dimethylpropyl)piperidin-3-yl]-ethoxymethanol
PubChem CID71094295
Molecular FormulaC13H27NO2
Molecular Weight229.36 g/mol
Exact Mass229.20
IUPAC Name[1-(2,2-dimethylpropyl)piperidin-3-yl]-ethoxymethanol
SMILESCCOC(O)C1CCCN(CC(C)(C)C)C1
InChIInChI=1S/C13H27NO2/c1-5-16-12(15)11-7-6-8-14(9-11)10-13(2,3)4/h11-12,15H,5-10H2,1-4H3
InChIKeyMXMAQGWMUMTNMJ-UHFFFAOYSA-N
XLogP2.10
TPSA32.70 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.36
LogP ≤ 52.10
H-Bond Donors ≤ 51
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

ethoxy-(1-methylpiperidin-3-yl)methanol
CID 90952315
3-ethoxy-3-(1-ethylpiperidin-3-yl)propan-1-amine
CID 105468111
(3R)-1-(2,2-dimethylpropyl)piperidine-3-carboxamide
CID 58877777
1-(2,2-dimethylpropyl)piperidine-3-carboxamide
CID 21060232
1-(3,3-diethoxypropyl)piperidin-3-ol
CID 63629790
ethoxy-[(3R)-piperidin-3-yl]methanol
CID 143093880
(1R)-1-[(3R)-1-propylpiperidin-3-yl]ethanol
CID 51697339
3-(difluoromethoxy)-1-(2,2-dimethylpropyl)pyrrolidine
CID 137419192
1-(2,2-dimethylpropyl)-3-propan-2-ylazetidine
CID 130253781
1-[1-[2,2-dimethyl-3-(methylamino)propyl]pyrrolidin-3-yl]ethanol
CID 112629123
1-(2-ethoxy-2-methylpropyl)-N-ethylpiperidin-3-amine
CID 114944306
1-cycloheptyl-2-ethoxypropan-1-ol
CID 82931092

Frequently Asked Questions

What is the IUPAC name of [1-(2,2-dimethylpropyl)piperidin-3-yl]-ethoxymethanol?
The IUPAC name of [1-(2,2-dimethylpropyl)piperidin-3-yl]-ethoxymethanol (CID 71094295) is [1-(2,2-dimethylpropyl)piperidin-3-yl]-ethoxymethanol.
What is the SMILES notation for [1-(2,2-dimethylpropyl)piperidin-3-yl]-ethoxymethanol?
The canonical SMILES for [1-(2,2-dimethylpropyl)piperidin-3-yl]-ethoxymethanol is CCOC(O)C1CCCN(CC(C)(C)C)C1.
What is the InChIKey of [1-(2,2-dimethylpropyl)piperidin-3-yl]-ethoxymethanol?
The InChIKey is MXMAQGWMUMTNMJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H27NO2/c1-5-16-12(15)11-7-6-8-14(9-11)10-13(2,3)4/h11-12,15H,5-10H2,1-4H3.
What are the key properties of [1-(2,2-dimethylpropyl)piperidin-3-yl]-ethoxymethanol?
[1-(2,2-dimethylpropyl)piperidin-3-yl]-ethoxymethanol has a molecular weight of 229.36 g/mol, XLogP of 2.10, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(2,2-dimethylpropyl)piperidin-3-yl]-ethoxymethanol is sourced from PubChem (CID 71094295), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).