ethoxy-(1-methylpiperidin-3-yl)methanol

C9H19NO2 — CID 90952315

IUPACethoxy-(1-methylpiperidin-3-yl)methanol
SMILESCCOC(O)C1CCCN(C)C1
InChIInChI=1S/C9H19NO2/c1-3-12-9(11)8-5-4-6-10(2)7-8/h8-9,11H,3-7H2,1-2H3
InChIKeyIWXFBIHSDBZCHS-UHFFFAOYSA-N
MW173.26 g/mol
LogP0.68
Rot. Bonds3

About ethoxy-(1-methylpiperidin-3-yl)methanol

ethoxy-(1-methylpiperidin-3-yl)methanol (PubChem CID 90952315) has the molecular formula C9H19NO2 and a molecular weight of 173.26 g/mol. Its IUPAC name is ethoxy-(1-methylpiperidin-3-yl)methanol.

Molecular Properties

Compound Nameethoxy-(1-methylpiperidin-3-yl)methanol
PubChem CID90952315
Molecular FormulaC9H19NO2
Molecular Weight173.26 g/mol
Exact Mass173.14
IUPAC Nameethoxy-(1-methylpiperidin-3-yl)methanol
SMILESCCOC(O)C1CCCN(C)C1
InChIInChI=1S/C9H19NO2/c1-3-12-9(11)8-5-4-6-10(2)7-8/h8-9,11H,3-7H2,1-2H3
InChIKeyIWXFBIHSDBZCHS-UHFFFAOYSA-N
XLogP0.68
TPSA32.70 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500173.26
LogP ≤ 50.68
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

[1-(2,2-dimethylpropyl)piperidin-3-yl]-ethoxymethanol
CID 71094295
(R)-methoxy-[(3R)-1-methylpyrrolidin-3-yl]methanol
CID 140507743
1-methyl-3-(2-methylpentan-3-yl)piperidine
CID 137432398
3-methoxy-3-(1-methylpiperidin-3-yl)propan-1-amine
CID 105442328
2-(ethylamino)-2-(1-methylpiperidin-3-yl)ethanol
CID 116859371
2-amino-2-methyl-1-(1-methylpiperidin-3-yl)propan-1-ol
CID 116836135
ethoxy-[(3R)-piperidin-3-yl]methanol
CID 143093880
ethyl 2-[1-(1-methylpiperidin-3-yl)ethylamino]acetate
CID 60811081
2-hydroxy-2-(1-methylpiperidin-3-yl)ethanesulfonyl chloride
CID 115044508
1-cycloheptyl-2-ethoxypropan-1-ol
CID 82931092
3-[1-(1-methylpiperidin-3-yl)ethylamino]propane-1,2-diol
CID 66176759
1-(3,3-diethoxypropyl)piperidin-3-amine
CID 63628953

Frequently Asked Questions

What is the IUPAC name of ethoxy-(1-methylpiperidin-3-yl)methanol?
The IUPAC name of ethoxy-(1-methylpiperidin-3-yl)methanol (CID 90952315) is ethoxy-(1-methylpiperidin-3-yl)methanol.
What is the SMILES notation for ethoxy-(1-methylpiperidin-3-yl)methanol?
The canonical SMILES for ethoxy-(1-methylpiperidin-3-yl)methanol is CCOC(O)C1CCCN(C)C1.
What is the InChIKey of ethoxy-(1-methylpiperidin-3-yl)methanol?
The InChIKey is IWXFBIHSDBZCHS-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H19NO2/c1-3-12-9(11)8-5-4-6-10(2)7-8/h8-9,11H,3-7H2,1-2H3.
What are the key properties of ethoxy-(1-methylpiperidin-3-yl)methanol?
ethoxy-(1-methylpiperidin-3-yl)methanol has a molecular weight of 173.26 g/mol, XLogP of 0.68, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethoxy-(1-methylpiperidin-3-yl)methanol is sourced from PubChem (CID 90952315), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).