[4-(aminomethyl)oxan-4-yl]-pyridin-3-ylmethanol

C12H18N2O2 — CID 79134625

IUPAC[4-(aminomethyl)oxan-4-yl]-pyridin-3-ylmethanol
SMILESNCC1(C(O)c2cccnc2)CCOCC1
InChIInChI=1S/C12H18N2O2/c13-9-12(3-6-16-7-4-12)11(15)10-2-1-5-14-8-10/h1-2,5,8,11,15H,3-4,6-7,9,13H2
InChIKeyZYEBOPWEEJLXCS-UHFFFAOYSA-N
MW222.29 g/mol
LogP0.87
Rot. Bonds3

About [4-(aminomethyl)oxan-4-yl]-pyridin-3-ylmethanol

[4-(aminomethyl)oxan-4-yl]-pyridin-3-ylmethanol (PubChem CID 79134625) has the molecular formula C12H18N2O2 and a molecular weight of 222.29 g/mol. Its IUPAC name is [4-(aminomethyl)oxan-4-yl]-pyridin-3-ylmethanol.

Molecular Properties

Compound Name[4-(aminomethyl)oxan-4-yl]-pyridin-3-ylmethanol
PubChem CID79134625
Molecular FormulaC12H18N2O2
Molecular Weight222.29 g/mol
Exact Mass222.14
IUPAC Name[4-(aminomethyl)oxan-4-yl]-pyridin-3-ylmethanol
SMILESNCC1(C(O)c2cccnc2)CCOCC1
InChIInChI=1S/C12H18N2O2/c13-9-12(3-6-16-7-4-12)11(15)10-2-1-5-14-8-10/h1-2,5,8,11,15H,3-4,6-7,9,13H2
InChIKeyZYEBOPWEEJLXCS-UHFFFAOYSA-N
XLogP0.87
TPSA68.37 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.29
LogP ≤ 50.87
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

[3-(aminomethyl)oxan-3-yl]-pyridin-3-ylmethanol
CID 103715992
[1-(aminomethyl)-3-ethylcyclohexyl]-pyridin-3-ylmethanol
CID 79135100
[3-(aminomethyl)oxolan-3-yl]-phenylmethanol
CID 79134982
(R)-[4-(aminomethyl)oxan-4-yl]-(4-methoxyphenyl)methanol
CID 97035178
[4-(aminomethyl)oxan-4-yl]-thiophen-2-ylmethanol
CID 79134716
(S)-[4-(aminomethyl)oxan-4-yl]-(2-methylphenyl)methanol
CID 97035219
[4-(aminomethyl)oxan-4-yl]-(3-methylimidazol-4-yl)methanol
CID 79125466
[4-(aminomethyl)oxan-4-yl]-(4-propan-2-yloxyphenyl)methanol
CID 79135593
1-[4-(aminomethyl)oxan-4-yl]-2-pyridin-3-ylethanone
CID 116603133
(R)-oxan-4-yl(pyridin-3-yl)methanamine
CID 15549943
1-[hydroxy(pyridin-3-yl)methyl]cyclopropane-1-carboxylic acid
CID 116836352
(1-ethoxycyclohexyl)-pyridin-3-ylmethanol
CID 116753647

Frequently Asked Questions

What is the IUPAC name of [4-(aminomethyl)oxan-4-yl]-pyridin-3-ylmethanol?
The IUPAC name of [4-(aminomethyl)oxan-4-yl]-pyridin-3-ylmethanol (CID 79134625) is [4-(aminomethyl)oxan-4-yl]-pyridin-3-ylmethanol.
What is the SMILES notation for [4-(aminomethyl)oxan-4-yl]-pyridin-3-ylmethanol?
The canonical SMILES for [4-(aminomethyl)oxan-4-yl]-pyridin-3-ylmethanol is NCC1(C(O)c2cccnc2)CCOCC1.
What is the InChIKey of [4-(aminomethyl)oxan-4-yl]-pyridin-3-ylmethanol?
The InChIKey is ZYEBOPWEEJLXCS-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18N2O2/c13-9-12(3-6-16-7-4-12)11(15)10-2-1-5-14-8-10/h1-2,5,8,11,15H,3-4,6-7,9,13H2.
What are the key properties of [4-(aminomethyl)oxan-4-yl]-pyridin-3-ylmethanol?
[4-(aminomethyl)oxan-4-yl]-pyridin-3-ylmethanol has a molecular weight of 222.29 g/mol, XLogP of 0.87, 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]-pyridin-3-ylmethanol is sourced from PubChem (CID 79134625), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).