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

C12H18N2O2 — CID 103715992

IUPAC[3-(aminomethyl)oxan-3-yl]-pyridin-3-ylmethanol
SMILESNCC1(C(O)c2cccnc2)CCCOC1
InChIInChI=1S/C12H18N2O2/c13-8-12(4-2-6-16-9-12)11(15)10-3-1-5-14-7-10/h1,3,5,7,11,15H,2,4,6,8-9,13H2
InChIKeyLRGLEAAYCOZHPT-UHFFFAOYSA-N
MW222.29 g/mol
LogP0.87
Rot. Bonds3

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

[3-(aminomethyl)oxan-3-yl]-pyridin-3-ylmethanol (PubChem CID 103715992) has the molecular formula C12H18N2O2 and a molecular weight of 222.29 g/mol. Its IUPAC name is [3-(aminomethyl)oxan-3-yl]-pyridin-3-ylmethanol.

Molecular Properties

Compound Name[3-(aminomethyl)oxan-3-yl]-pyridin-3-ylmethanol
PubChem CID103715992
Molecular FormulaC12H18N2O2
Molecular Weight222.29 g/mol
Exact Mass222.14
IUPAC Name[3-(aminomethyl)oxan-3-yl]-pyridin-3-ylmethanol
SMILESNCC1(C(O)c2cccnc2)CCCOC1
InChIInChI=1S/C12H18N2O2/c13-8-12(4-2-6-16-9-12)11(15)10-3-1-5-14-7-10/h1,3,5,7,11,15H,2,4,6,8-9,13H2
InChIKeyLRGLEAAYCOZHPT-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

[4-(aminomethyl)oxan-4-yl]-pyridin-3-ylmethanol
CID 79134625
[1-(aminomethyl)-3-ethylcyclohexyl]-pyridin-3-ylmethanol
CID 79135100
[3-(aminomethyl)oxan-3-yl]-(3-bromo-4-chlorophenyl)methanol
CID 114113377
[3-(aminomethyl)oxolan-3-yl]-(4-bromophenyl)methanol
CID 79134979
[3-(aminomethyl)oxan-3-yl]-(1-benzothiophen-3-yl)methanol
CID 103716030
[4-(aminomethyl)oxan-4-yl]-(6-methyl-3-pyridinyl)methanol
CID 104824016
[3-(aminomethyl)oxolan-3-yl]-[4-(trifluoromethyl)phenyl]methanol
CID 79135823
1-[hydroxy(pyridin-3-yl)methyl]cyclopropane-1-carboxylic acid
CID 116836352
(1-ethoxycyclohexyl)-pyridin-3-ylmethanol
CID 116753647
1-[hydroxy(pyridin-3-yl)methyl]cyclooctane-1-carbonitrile
CID 80604094
[3-(aminomethyl)oxolan-3-yl]-(1-benzofuran-2-yl)methanol
CID 79138546
(R)-oxan-4-yl(pyridin-3-yl)methanamine
CID 15549943

Frequently Asked Questions

What is the IUPAC name of [3-(aminomethyl)oxan-3-yl]-pyridin-3-ylmethanol?
The IUPAC name of [3-(aminomethyl)oxan-3-yl]-pyridin-3-ylmethanol (CID 103715992) is [3-(aminomethyl)oxan-3-yl]-pyridin-3-ylmethanol.
What is the SMILES notation for [3-(aminomethyl)oxan-3-yl]-pyridin-3-ylmethanol?
The canonical SMILES for [3-(aminomethyl)oxan-3-yl]-pyridin-3-ylmethanol is NCC1(C(O)c2cccnc2)CCCOC1.
What is the InChIKey of [3-(aminomethyl)oxan-3-yl]-pyridin-3-ylmethanol?
The InChIKey is LRGLEAAYCOZHPT-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18N2O2/c13-8-12(4-2-6-16-9-12)11(15)10-3-1-5-14-7-10/h1,3,5,7,11,15H,2,4,6,8-9,13H2.
What are the key properties of [3-(aminomethyl)oxan-3-yl]-pyridin-3-ylmethanol?
[3-(aminomethyl)oxan-3-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 [3-(aminomethyl)oxan-3-yl]-pyridin-3-ylmethanol is sourced from PubChem (CID 103715992), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).