[2-[methyl(oxan-4-ylmethyl)amino]-4-pyridinyl]methanol

C13H20N2O2 — CID 63711407

IUPAC[2-[methyl(oxan-4-ylmethyl)amino]-4-pyridinyl]methanol
SMILESCN(CC1CCOCC1)c1cc(CO)ccn1
InChIInChI=1S/C13H20N2O2/c1-15(9-11-3-6-17-7-4-11)13-8-12(10-16)2-5-14-13/h2,5,8,11,16H,3-4,6-7,9-10H2,1H3
InChIKeyBZUTVVNOEZVOKL-UHFFFAOYSA-N
MW236.31 g/mol
LogP1.44
Rot. Bonds4

About [2-[methyl(oxan-4-ylmethyl)amino]-4-pyridinyl]methanol

[2-[methyl(oxan-4-ylmethyl)amino]-4-pyridinyl]methanol (PubChem CID 63711407) has the molecular formula C13H20N2O2 and a molecular weight of 236.31 g/mol. Its IUPAC name is [2-[methyl(oxan-4-ylmethyl)amino]-4-pyridinyl]methanol.

Molecular Properties

Compound Name[2-[methyl(oxan-4-ylmethyl)amino]-4-pyridinyl]methanol
PubChem CID63711407
Molecular FormulaC13H20N2O2
Molecular Weight236.31 g/mol
Exact Mass236.15
IUPAC Name[2-[methyl(oxan-4-ylmethyl)amino]-4-pyridinyl]methanol
SMILESCN(CC1CCOCC1)c1cc(CO)ccn1
InChIInChI=1S/C13H20N2O2/c1-15(9-11-3-6-17-7-4-11)13-8-12(10-16)2-5-14-13/h2,5,8,11,16H,3-4,6-7,9-10H2,1H3
InChIKeyBZUTVVNOEZVOKL-UHFFFAOYSA-N
XLogP1.44
TPSA45.59 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.31
LogP ≤ 51.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of [2-[methyl(oxan-4-ylmethyl)amino]-4-pyridinyl]methanol?
The IUPAC name of [2-[methyl(oxan-4-ylmethyl)amino]-4-pyridinyl]methanol (CID 63711407) is [2-[methyl(oxan-4-ylmethyl)amino]-4-pyridinyl]methanol.
What is the SMILES notation for [2-[methyl(oxan-4-ylmethyl)amino]-4-pyridinyl]methanol?
The canonical SMILES for [2-[methyl(oxan-4-ylmethyl)amino]-4-pyridinyl]methanol is CN(CC1CCOCC1)c1cc(CO)ccn1.
What is the InChIKey of [2-[methyl(oxan-4-ylmethyl)amino]-4-pyridinyl]methanol?
The InChIKey is BZUTVVNOEZVOKL-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N2O2/c1-15(9-11-3-6-17-7-4-11)13-8-12(10-16)2-5-14-13/h2,5,8,11,16H,3-4,6-7,9-10H2,1H3.
What are the key properties of [2-[methyl(oxan-4-ylmethyl)amino]-4-pyridinyl]methanol?
[2-[methyl(oxan-4-ylmethyl)amino]-4-pyridinyl]methanol has a molecular weight of 236.31 g/mol, XLogP of 1.44, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [2-[methyl(oxan-4-ylmethyl)amino]-4-pyridinyl]methanol is sourced from PubChem (CID 63711407), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).