4-[3-(ethoxymethyl)piperidin-1-yl]butan-1-ol

C12H25NO2 — CID 111148113

IUPAC4-[3-(ethoxymethyl)piperidin-1-yl]butan-1-ol
SMILESCCOCC1CCCN(CCCCO)C1
InChIInChI=1S/C12H25NO2/c1-2-15-11-12-6-5-8-13(10-12)7-3-4-9-14/h12,14H,2-11H2,1H3
InChIKeyPDVFQVNDFPAOOI-UHFFFAOYSA-N
MW215.34 g/mol
LogP1.51
Rot. Bonds7

About 4-[3-(ethoxymethyl)piperidin-1-yl]butan-1-ol

4-[3-(ethoxymethyl)piperidin-1-yl]butan-1-ol (PubChem CID 111148113) has the molecular formula C12H25NO2 and a molecular weight of 215.34 g/mol. Its IUPAC name is 4-[3-(ethoxymethyl)piperidin-1-yl]butan-1-ol.

Molecular Properties

Compound Name4-[3-(ethoxymethyl)piperidin-1-yl]butan-1-ol
PubChem CID111148113
Molecular FormulaC12H25NO2
Molecular Weight215.34 g/mol
Exact Mass215.19
IUPAC Name4-[3-(ethoxymethyl)piperidin-1-yl]butan-1-ol
SMILESCCOCC1CCCN(CCCCO)C1
InChIInChI=1S/C12H25NO2/c1-2-15-11-12-6-5-8-13(10-12)7-3-4-9-14/h12,14H,2-11H2,1H3
InChIKeyPDVFQVNDFPAOOI-UHFFFAOYSA-N
XLogP1.51
TPSA32.70 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.34
LogP ≤ 51.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-[3-(ethoxymethyl)pyrrolidin-1-yl]ethanol
CID 121201448
3-(ethoxymethyl)-1-ethylpiperidine
CID 91434061
ethane;3-(ethoxymethyl)-1-ethylpiperidine
CID 144871592
5-[3-(hydroxymethyl)piperidin-1-yl]pentan-1-ol
CID 62229344
5-[3-(ethylaminomethyl)piperidin-1-yl]pentan-1-ol
CID 63848813
6-[3-(methoxymethyl)pyrrolidin-1-yl]hexan-1-ol
CID 103737990
4-[3-(2-aminoethyl)piperidin-1-yl]butan-1-ol
CID 63764428
N-[[1-(3-ethoxypropyl)piperidin-3-yl]methyl]-2-methoxyethanamine
CID 65175473
6-(3-ethylpyrrolidin-1-yl)hexan-1-ol
CID 103748114
[(3R)-1-(3-methoxypropyl)piperidin-3-yl]methanol
CID 129367340
2-[(3S)-3-(ethoxymethyl)pyrrolidin-1-yl]ethanamine
CID 129322519
6-[3-(methoxymethyl)piperidin-1-yl]hexan-1-amine
CID 106587405

Frequently Asked Questions

What is the IUPAC name of 4-[3-(ethoxymethyl)piperidin-1-yl]butan-1-ol?
The IUPAC name of 4-[3-(ethoxymethyl)piperidin-1-yl]butan-1-ol (CID 111148113) is 4-[3-(ethoxymethyl)piperidin-1-yl]butan-1-ol.
What is the SMILES notation for 4-[3-(ethoxymethyl)piperidin-1-yl]butan-1-ol?
The canonical SMILES for 4-[3-(ethoxymethyl)piperidin-1-yl]butan-1-ol is CCOCC1CCCN(CCCCO)C1.
What is the InChIKey of 4-[3-(ethoxymethyl)piperidin-1-yl]butan-1-ol?
The InChIKey is PDVFQVNDFPAOOI-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H25NO2/c1-2-15-11-12-6-5-8-13(10-12)7-3-4-9-14/h12,14H,2-11H2,1H3.
What are the key properties of 4-[3-(ethoxymethyl)piperidin-1-yl]butan-1-ol?
4-[3-(ethoxymethyl)piperidin-1-yl]butan-1-ol has a molecular weight of 215.34 g/mol, XLogP of 1.51, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[3-(ethoxymethyl)piperidin-1-yl]butan-1-ol is sourced from PubChem (CID 111148113), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).