2-[[6-(aminomethyl)-3-pyridinyl]oxy]cyclohexan-1-ol

C12H18N2O2 — CID 79775403

IUPAC2-[[6-(aminomethyl)-3-pyridinyl]oxy]cyclohexan-1-ol
SMILESNCc1ccc(OC2CCCCC2O)cn1
InChIInChI=1S/C12H18N2O2/c13-7-9-5-6-10(8-14-9)16-12-4-2-1-3-11(12)15/h5-6,8,11-12,15H,1-4,7,13H2
InChIKeyTZARWCLGSDLCSB-UHFFFAOYSA-N
MW222.29 g/mol
LogP1.22
Rot. Bonds3

About 2-[[6-(aminomethyl)-3-pyridinyl]oxy]cyclohexan-1-ol

2-[[6-(aminomethyl)-3-pyridinyl]oxy]cyclohexan-1-ol (PubChem CID 79775403) has the molecular formula C12H18N2O2 and a molecular weight of 222.29 g/mol. Its IUPAC name is 2-[[6-(aminomethyl)-3-pyridinyl]oxy]cyclohexan-1-ol.

Molecular Properties

Compound Name2-[[6-(aminomethyl)-3-pyridinyl]oxy]cyclohexan-1-ol
PubChem CID79775403
Molecular FormulaC12H18N2O2
Molecular Weight222.29 g/mol
Exact Mass222.14
IUPAC Name2-[[6-(aminomethyl)-3-pyridinyl]oxy]cyclohexan-1-ol
SMILESNCc1ccc(OC2CCCCC2O)cn1
InChIInChI=1S/C12H18N2O2/c13-7-9-5-6-10(8-14-9)16-12-4-2-1-3-11(12)15/h5-6,8,11-12,15H,1-4,7,13H2
InChIKeyTZARWCLGSDLCSB-UHFFFAOYSA-N
XLogP1.22
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 ≤ 51.22
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-[[6-(aminomethyl)-3-pyridinyl]oxy]cyclohexan-1-ol?
The IUPAC name of 2-[[6-(aminomethyl)-3-pyridinyl]oxy]cyclohexan-1-ol (CID 79775403) is 2-[[6-(aminomethyl)-3-pyridinyl]oxy]cyclohexan-1-ol.
What is the SMILES notation for 2-[[6-(aminomethyl)-3-pyridinyl]oxy]cyclohexan-1-ol?
The canonical SMILES for 2-[[6-(aminomethyl)-3-pyridinyl]oxy]cyclohexan-1-ol is NCc1ccc(OC2CCCCC2O)cn1.
What is the InChIKey of 2-[[6-(aminomethyl)-3-pyridinyl]oxy]cyclohexan-1-ol?
The InChIKey is TZARWCLGSDLCSB-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18N2O2/c13-7-9-5-6-10(8-14-9)16-12-4-2-1-3-11(12)15/h5-6,8,11-12,15H,1-4,7,13H2.
What are the key properties of 2-[[6-(aminomethyl)-3-pyridinyl]oxy]cyclohexan-1-ol?
2-[[6-(aminomethyl)-3-pyridinyl]oxy]cyclohexan-1-ol has a molecular weight of 222.29 g/mol, XLogP of 1.22, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[6-(aminomethyl)-3-pyridinyl]oxy]cyclohexan-1-ol is sourced from PubChem (CID 79775403), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).