[4-[bis(2-methoxyethyl)amino]-6-methyl-3-pyridinyl]methanol

C13H22N2O3 — CID 81239387

IUPAC[4-[bis(2-methoxyethyl)amino]-6-methyl-3-pyridinyl]methanol
SMILESCOCCN(CCOC)c1cc(C)ncc1CO
InChIInChI=1S/C13H22N2O3/c1-11-8-13(12(10-16)9-14-11)15(4-6-17-2)5-7-18-3/h8-9,16H,4-7,10H2,1-3H3
InChIKeyZVHJMAWCJMARKO-UHFFFAOYSA-N
MW254.33 g/mol
LogP0.98
Rot. Bonds8

About [4-[bis(2-methoxyethyl)amino]-6-methyl-3-pyridinyl]methanol

[4-[bis(2-methoxyethyl)amino]-6-methyl-3-pyridinyl]methanol (PubChem CID 81239387) has the molecular formula C13H22N2O3 and a molecular weight of 254.33 g/mol. Its IUPAC name is [4-[bis(2-methoxyethyl)amino]-6-methyl-3-pyridinyl]methanol.

Molecular Properties

Compound Name[4-[bis(2-methoxyethyl)amino]-6-methyl-3-pyridinyl]methanol
PubChem CID81239387
Molecular FormulaC13H22N2O3
Molecular Weight254.33 g/mol
Exact Mass254.16
IUPAC Name[4-[bis(2-methoxyethyl)amino]-6-methyl-3-pyridinyl]methanol
SMILESCOCCN(CCOC)c1cc(C)ncc1CO
InChIInChI=1S/C13H22N2O3/c1-11-8-13(12(10-16)9-14-11)15(4-6-17-2)5-7-18-3/h8-9,16H,4-7,10H2,1-3H3
InChIKeyZVHJMAWCJMARKO-UHFFFAOYSA-N
XLogP0.98
TPSA54.82 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.33
LogP ≤ 50.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of [4-[bis(2-methoxyethyl)amino]-6-methyl-3-pyridinyl]methanol?
The IUPAC name of [4-[bis(2-methoxyethyl)amino]-6-methyl-3-pyridinyl]methanol (CID 81239387) is [4-[bis(2-methoxyethyl)amino]-6-methyl-3-pyridinyl]methanol.
What is the SMILES notation for [4-[bis(2-methoxyethyl)amino]-6-methyl-3-pyridinyl]methanol?
The canonical SMILES for [4-[bis(2-methoxyethyl)amino]-6-methyl-3-pyridinyl]methanol is COCCN(CCOC)c1cc(C)ncc1CO.
What is the InChIKey of [4-[bis(2-methoxyethyl)amino]-6-methyl-3-pyridinyl]methanol?
The InChIKey is ZVHJMAWCJMARKO-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22N2O3/c1-11-8-13(12(10-16)9-14-11)15(4-6-17-2)5-7-18-3/h8-9,16H,4-7,10H2,1-3H3.
What are the key properties of [4-[bis(2-methoxyethyl)amino]-6-methyl-3-pyridinyl]methanol?
[4-[bis(2-methoxyethyl)amino]-6-methyl-3-pyridinyl]methanol has a molecular weight of 254.33 g/mol, XLogP of 0.98, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[bis(2-methoxyethyl)amino]-6-methyl-3-pyridinyl]methanol is sourced from PubChem (CID 81239387), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).