[4-[(2-methoxy-3-pyridinyl)methyl-methylamino]oxan-4-yl]methanol

C14H22N2O3 — CID 99839240

IUPAC[4-[(2-methoxy-3-pyridinyl)methyl-methylamino]oxan-4-yl]methanol
SMILESCOc1ncccc1CN(C)C1(CO)CCOCC1
InChIInChI=1S/C14H22N2O3/c1-16(14(11-17)5-8-19-9-6-14)10-12-4-3-7-15-13(12)18-2/h3-4,7,17H,5-6,8-11H2,1-2H3
InChIKeyHMZFZQXDFUGVJV-UHFFFAOYSA-N
MW266.34 g/mol
LogP1.06
Rot. Bonds5

About [4-[(2-methoxy-3-pyridinyl)methyl-methylamino]oxan-4-yl]methanol

[4-[(2-methoxy-3-pyridinyl)methyl-methylamino]oxan-4-yl]methanol (PubChem CID 99839240) has the molecular formula C14H22N2O3 and a molecular weight of 266.34 g/mol. Its IUPAC name is [4-[(2-methoxy-3-pyridinyl)methyl-methylamino]oxan-4-yl]methanol.

Molecular Properties

Compound Name[4-[(2-methoxy-3-pyridinyl)methyl-methylamino]oxan-4-yl]methanol
PubChem CID99839240
Molecular FormulaC14H22N2O3
Molecular Weight266.34 g/mol
Exact Mass266.16
IUPAC Name[4-[(2-methoxy-3-pyridinyl)methyl-methylamino]oxan-4-yl]methanol
SMILESCOc1ncccc1CN(C)C1(CO)CCOCC1
InChIInChI=1S/C14H22N2O3/c1-16(14(11-17)5-8-19-9-6-14)10-12-4-3-7-15-13(12)18-2/h3-4,7,17H,5-6,8-11H2,1-2H3
InChIKeyHMZFZQXDFUGVJV-UHFFFAOYSA-N
XLogP1.06
TPSA54.82 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.34
LogP ≤ 51.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of [4-[(2-methoxy-3-pyridinyl)methyl-methylamino]oxan-4-yl]methanol?
The IUPAC name of [4-[(2-methoxy-3-pyridinyl)methyl-methylamino]oxan-4-yl]methanol (CID 99839240) is [4-[(2-methoxy-3-pyridinyl)methyl-methylamino]oxan-4-yl]methanol.
What is the SMILES notation for [4-[(2-methoxy-3-pyridinyl)methyl-methylamino]oxan-4-yl]methanol?
The canonical SMILES for [4-[(2-methoxy-3-pyridinyl)methyl-methylamino]oxan-4-yl]methanol is COc1ncccc1CN(C)C1(CO)CCOCC1.
What is the InChIKey of [4-[(2-methoxy-3-pyridinyl)methyl-methylamino]oxan-4-yl]methanol?
The InChIKey is HMZFZQXDFUGVJV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N2O3/c1-16(14(11-17)5-8-19-9-6-14)10-12-4-3-7-15-13(12)18-2/h3-4,7,17H,5-6,8-11H2,1-2H3.
What are the key properties of [4-[(2-methoxy-3-pyridinyl)methyl-methylamino]oxan-4-yl]methanol?
[4-[(2-methoxy-3-pyridinyl)methyl-methylamino]oxan-4-yl]methanol has a molecular weight of 266.34 g/mol, XLogP of 1.06, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[(2-methoxy-3-pyridinyl)methyl-methylamino]oxan-4-yl]methanol is sourced from PubChem (CID 99839240), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).