1-[2-(3-methoxypropoxy)ethyl]-3-methylpiperidin-4-ol

C12H25NO3 — CID 103182854

IUPAC1-[2-(3-methoxypropoxy)ethyl]-3-methylpiperidin-4-ol
SMILESCOCCCOCCN1CCC(O)C(C)C1
InChIInChI=1S/C12H25NO3/c1-11-10-13(5-4-12(11)14)6-9-16-8-3-7-15-2/h11-12,14H,3-10H2,1-2H3
InChIKeyOMJXZZKJQXTOKS-UHFFFAOYSA-N
MW231.34 g/mol
LogP0.74
Rot. Bonds7

About 1-[2-(3-methoxypropoxy)ethyl]-3-methylpiperidin-4-ol

1-[2-(3-methoxypropoxy)ethyl]-3-methylpiperidin-4-ol (PubChem CID 103182854) has the molecular formula C12H25NO3 and a molecular weight of 231.34 g/mol. Its IUPAC name is 1-[2-(3-methoxypropoxy)ethyl]-3-methylpiperidin-4-ol.

Molecular Properties

Compound Name1-[2-(3-methoxypropoxy)ethyl]-3-methylpiperidin-4-ol
PubChem CID103182854
Molecular FormulaC12H25NO3
Molecular Weight231.34 g/mol
Exact Mass231.18
IUPAC Name1-[2-(3-methoxypropoxy)ethyl]-3-methylpiperidin-4-ol
SMILESCOCCCOCCN1CCC(O)C(C)C1
InChIInChI=1S/C12H25NO3/c1-11-10-13(5-4-12(11)14)6-9-16-8-3-7-15-2/h11-12,14H,3-10H2,1-2H3
InChIKeyOMJXZZKJQXTOKS-UHFFFAOYSA-N
XLogP0.74
TPSA41.93 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.34
LogP ≤ 50.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

4-(Morpholin-4-yl)butan-2-ol
CID 14555601
1-(2-Methoxyethyl)piperidin-4-ol
CID 21353752
[1-(2-Methoxyethyl)piperidin-3-yl]methanol
CID 45791056
1,3,5-Trimethylpiperidin-4-ol
CID 91446778
1-Butyl-5-methyl-piperidine-3,4-diol
CID 44368231
1-[2-(Propan-2-yloxy)ethyl]piperidin-4-ol
CID 57637276
1-Butoxy-3-(3,5-dimethylpiperidin-1-yl)propan-2-ol hydrochloride
CID 16958271
1-Butoxy-3-(3,5-dimethylpiperidin-1-yl)propan-2-ol
CID 16958272
1-(Tert-butoxy)-3-(3,5-dimethylpiperidin-1-yl)propan-2-ol hydrochloride
CID 18593245
1-(3-Methyl-1-piperidyl)-3-(tert-pentyloxy)-2-propanol
CID 44117052
1-(3-Methylpiperidin-1-yl)-3-(tert-pentyloxy)propan-2-ol hydrochloride
CID 45283610
3-Methyl-1-piperidin-1-ylbutan-2-ol
CID 13159231

Frequently Asked Questions

What is the IUPAC name of 1-[2-(3-methoxypropoxy)ethyl]-3-methylpiperidin-4-ol?
The IUPAC name of 1-[2-(3-methoxypropoxy)ethyl]-3-methylpiperidin-4-ol (CID 103182854) is 1-[2-(3-methoxypropoxy)ethyl]-3-methylpiperidin-4-ol.
What is the SMILES notation for 1-[2-(3-methoxypropoxy)ethyl]-3-methylpiperidin-4-ol?
The canonical SMILES for 1-[2-(3-methoxypropoxy)ethyl]-3-methylpiperidin-4-ol is COCCCOCCN1CCC(O)C(C)C1.
What is the InChIKey of 1-[2-(3-methoxypropoxy)ethyl]-3-methylpiperidin-4-ol?
The InChIKey is OMJXZZKJQXTOKS-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H25NO3/c1-11-10-13(5-4-12(11)14)6-9-16-8-3-7-15-2/h11-12,14H,3-10H2,1-2H3.
What are the key properties of 1-[2-(3-methoxypropoxy)ethyl]-3-methylpiperidin-4-ol?
1-[2-(3-methoxypropoxy)ethyl]-3-methylpiperidin-4-ol has a molecular weight of 231.34 g/mol, XLogP of 0.74, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(3-methoxypropoxy)ethyl]-3-methylpiperidin-4-ol is sourced from PubChem (CID 103182854), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).