[4-(aminomethyl)oxan-4-yl]-(6-methyl-3-pyridinyl)methanol

C13H20N2O2 — CID 104824016

IUPAC[4-(aminomethyl)oxan-4-yl]-(6-methyl-3-pyridinyl)methanol
SMILESCc1ccc(C(O)C2(CN)CCOCC2)cn1
InChIInChI=1S/C13H20N2O2/c1-10-2-3-11(8-15-10)12(16)13(9-14)4-6-17-7-5-13/h2-3,8,12,16H,4-7,9,14H2,1H3
InChIKeyVKQBSIRZDNLJSR-UHFFFAOYSA-N
MW236.31 g/mol
LogP1.18
Rot. Bonds3

About [4-(aminomethyl)oxan-4-yl]-(6-methyl-3-pyridinyl)methanol

[4-(aminomethyl)oxan-4-yl]-(6-methyl-3-pyridinyl)methanol (PubChem CID 104824016) has the molecular formula C13H20N2O2 and a molecular weight of 236.31 g/mol. Its IUPAC name is [4-(aminomethyl)oxan-4-yl]-(6-methyl-3-pyridinyl)methanol.

Molecular Properties

Compound Name[4-(aminomethyl)oxan-4-yl]-(6-methyl-3-pyridinyl)methanol
PubChem CID104824016
Molecular FormulaC13H20N2O2
Molecular Weight236.31 g/mol
Exact Mass236.15
IUPAC Name[4-(aminomethyl)oxan-4-yl]-(6-methyl-3-pyridinyl)methanol
SMILESCc1ccc(C(O)C2(CN)CCOCC2)cn1
InChIInChI=1S/C13H20N2O2/c1-10-2-3-11(8-15-10)12(16)13(9-14)4-6-17-7-5-13/h2-3,8,12,16H,4-7,9,14H2,1H3
InChIKeyVKQBSIRZDNLJSR-UHFFFAOYSA-N
XLogP1.18
TPSA68.37 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.31
LogP ≤ 51.18
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

[4-(aminomethyl)oxan-4-yl]-pyridin-3-ylmethanol
CID 79134625
(R)-[4-(aminomethyl)oxan-4-yl]-(4-methoxyphenyl)methanol
CID 97035178
[4-(aminomethyl)oxan-4-yl]-(4-propan-2-yloxyphenyl)methanol
CID 79135593
[4-(aminomethyl)oxan-4-yl]-(5-methylfuran-2-yl)methanol
CID 79134603
(S)-[4-(aminomethyl)oxan-4-yl]-(2-methylphenyl)methanol
CID 97035219
[4-(aminomethyl)oxan-4-yl]-(3-chloro-4-fluorophenyl)methanol
CID 81156337
[3-(aminomethyl)oxolan-3-yl]-(4-bromophenyl)methanol
CID 79134979
[4-(aminomethyl)oxan-4-yl]-(3-methylimidazol-4-yl)methanol
CID 79125466
[1-(aminomethyl)cyclopentyl]-(4-methylphenyl)methanol
CID 79137754
[3-(aminomethyl)oxolan-3-yl]-phenylmethanol
CID 79134982
[1-(aminomethyl)-4-methylcyclohexyl]-(6-methoxy-3-pyridinyl)methanol
CID 114938871
1-(6-methyl-3-pyridinyl)-2-(oxan-4-yl)ethanol
CID 104823049

Frequently Asked Questions

What is the IUPAC name of [4-(aminomethyl)oxan-4-yl]-(6-methyl-3-pyridinyl)methanol?
The IUPAC name of [4-(aminomethyl)oxan-4-yl]-(6-methyl-3-pyridinyl)methanol (CID 104824016) is [4-(aminomethyl)oxan-4-yl]-(6-methyl-3-pyridinyl)methanol.
What is the SMILES notation for [4-(aminomethyl)oxan-4-yl]-(6-methyl-3-pyridinyl)methanol?
The canonical SMILES for [4-(aminomethyl)oxan-4-yl]-(6-methyl-3-pyridinyl)methanol is Cc1ccc(C(O)C2(CN)CCOCC2)cn1.
What is the InChIKey of [4-(aminomethyl)oxan-4-yl]-(6-methyl-3-pyridinyl)methanol?
The InChIKey is VKQBSIRZDNLJSR-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N2O2/c1-10-2-3-11(8-15-10)12(16)13(9-14)4-6-17-7-5-13/h2-3,8,12,16H,4-7,9,14H2,1H3.
What are the key properties of [4-(aminomethyl)oxan-4-yl]-(6-methyl-3-pyridinyl)methanol?
[4-(aminomethyl)oxan-4-yl]-(6-methyl-3-pyridinyl)methanol has a molecular weight of 236.31 g/mol, XLogP of 1.18, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(aminomethyl)oxan-4-yl]-(6-methyl-3-pyridinyl)methanol is sourced from PubChem (CID 104824016), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).