1-[(1-methylpiperidin-4-yl)methoxy]-2-pyridin-4-yloxyethanol

C14H22N2O3 — CID 173189922

IUPAC1-[(1-methylpiperidin-4-yl)methoxy]-2-pyridin-4-yloxyethanol
SMILESCN1CCC(COC(O)COc2ccncc2)CC1
InChIInChI=1S/C14H22N2O3/c1-16-8-4-12(5-9-16)10-19-14(17)11-18-13-2-6-15-7-3-13/h2-3,6-7,12,14,17H,4-5,8-11H2,1H3
InChIKeyCCNXWKHTWDZPPB-UHFFFAOYSA-N
MW266.34 g/mol
LogP1.14
Rot. Bonds6

About 1-[(1-methylpiperidin-4-yl)methoxy]-2-pyridin-4-yloxyethanol

1-[(1-methylpiperidin-4-yl)methoxy]-2-pyridin-4-yloxyethanol (PubChem CID 173189922) has the molecular formula C14H22N2O3 and a molecular weight of 266.34 g/mol. Its IUPAC name is 1-[(1-methylpiperidin-4-yl)methoxy]-2-pyridin-4-yloxyethanol.

Molecular Properties

Compound Name1-[(1-methylpiperidin-4-yl)methoxy]-2-pyridin-4-yloxyethanol
PubChem CID173189922
Molecular FormulaC14H22N2O3
Molecular Weight266.34 g/mol
Exact Mass266.16
IUPAC Name1-[(1-methylpiperidin-4-yl)methoxy]-2-pyridin-4-yloxyethanol
SMILESCN1CCC(COC(O)COc2ccncc2)CC1
InChIInChI=1S/C14H22N2O3/c1-16-8-4-12(5-9-16)10-19-14(17)11-18-13-2-6-15-7-3-13/h2-3,6-7,12,14,17H,4-5,8-11H2,1H3
InChIKeyCCNXWKHTWDZPPB-UHFFFAOYSA-N
XLogP1.14
TPSA54.82 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.34
LogP ≤ 51.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

4-[2-hydroxy-2-(1-methylpiperidin-4-yl)ethoxy]phenol
CID 117238923
1-methyl-4-[(4-methylphenoxy)methyl]piperidine
CID 123249578
2-(4-bromophenoxy)-1-(1-methylpiperidin-4-yl)ethanol
CID 117238916
4-(1-methylpiperidin-4-yl)oxypyridine
CID 18723159
4-[2-hydroxy-2-(1-methylpyrrolidin-3-yl)ethoxy]phenol
CID 117237471
1-(4-pyridin-4-yloxyphenoxy)propan-2-ol
CID 19982181
4-[2-hydroxy-3-[(1-methylpyrrolidin-3-yl)methylamino]propoxy]benzonitrile
CID 60909247
4-[[4-[(4-propan-2-ylphenoxy)methyl]piperidin-1-yl]methyl]pyridine
CID 59734548
[4-(phenoxymethyl)piperidin-1-yl]-pyridin-4-ylmethanone
CID 110638786
1-(4-fluorophenoxy)-3-[methyl-(1-methylpiperidin-4-yl)amino]propan-2-ol
CID 4300673
1-methyl-4-[(1-methylpiperidin-4-yl)methoxymethyl]piperidine
CID 142760200
3-[(1-methylpiperidin-4-yl)methoxy]benzonitrile
CID 68710696

Frequently Asked Questions

What is the IUPAC name of 1-[(1-methylpiperidin-4-yl)methoxy]-2-pyridin-4-yloxyethanol?
The IUPAC name of 1-[(1-methylpiperidin-4-yl)methoxy]-2-pyridin-4-yloxyethanol (CID 173189922) is 1-[(1-methylpiperidin-4-yl)methoxy]-2-pyridin-4-yloxyethanol.
What is the SMILES notation for 1-[(1-methylpiperidin-4-yl)methoxy]-2-pyridin-4-yloxyethanol?
The canonical SMILES for 1-[(1-methylpiperidin-4-yl)methoxy]-2-pyridin-4-yloxyethanol is CN1CCC(COC(O)COc2ccncc2)CC1.
What is the InChIKey of 1-[(1-methylpiperidin-4-yl)methoxy]-2-pyridin-4-yloxyethanol?
The InChIKey is CCNXWKHTWDZPPB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N2O3/c1-16-8-4-12(5-9-16)10-19-14(17)11-18-13-2-6-15-7-3-13/h2-3,6-7,12,14,17H,4-5,8-11H2,1H3.
What are the key properties of 1-[(1-methylpiperidin-4-yl)methoxy]-2-pyridin-4-yloxyethanol?
1-[(1-methylpiperidin-4-yl)methoxy]-2-pyridin-4-yloxyethanol has a molecular weight of 266.34 g/mol, XLogP of 1.14, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(1-methylpiperidin-4-yl)methoxy]-2-pyridin-4-yloxyethanol is sourced from PubChem (CID 173189922), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).