[4-(methoxymethyl)-2-azabicyclo[2.1.1]hexan-1-yl]methanol;hydrochloride

C8H16ClNO2 — CID 155973546

IUPAC[4-(methoxymethyl)-2-azabicyclo[2.1.1]hexan-1-yl]methanol;hydrochloride
SMILESCOCC12CNC(CO)(C1)C2.Cl
InChIInChI=1S/C8H15NO2.ClH/c1-11-6-7-2-8(3-7,5-10)9-4-7;/h9-10H,2-6H2,1H3;1H
InChIKeyGUEFCOHGAKRWQH-UHFFFAOYSA-N
MW193.67 g/mol
LogP0.17
Rot. Bonds3

About [4-(methoxymethyl)-2-azabicyclo[2.1.1]hexan-1-yl]methanol;hydrochloride

[4-(methoxymethyl)-2-azabicyclo[2.1.1]hexan-1-yl]methanol;hydrochloride (PubChem CID 155973546) has the molecular formula C8H16ClNO2 and a molecular weight of 193.67 g/mol. Its IUPAC name is [4-(methoxymethyl)-2-azabicyclo[2.1.1]hexan-1-yl]methanol;hydrochloride.

Molecular Properties

Compound Name[4-(methoxymethyl)-2-azabicyclo[2.1.1]hexan-1-yl]methanol;hydrochloride
PubChem CID155973546
Molecular FormulaC8H16ClNO2
Molecular Weight193.67 g/mol
Exact Mass193.09
IUPAC Name[4-(methoxymethyl)-2-azabicyclo[2.1.1]hexan-1-yl]methanol;hydrochloride
SMILESCOCC12CNC(CO)(C1)C2.Cl
InChIInChI=1S/C8H15NO2.ClH/c1-11-6-7-2-8(3-7,5-10)9-4-7;/h9-10H,2-6H2,1H3;1H
InChIKeyGUEFCOHGAKRWQH-UHFFFAOYSA-N
XLogP0.17
TPSA41.49 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500193.67
LogP ≤ 50.17
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of [4-(methoxymethyl)-2-azabicyclo[2.1.1]hexan-1-yl]methanol;hydrochloride?
The IUPAC name of [4-(methoxymethyl)-2-azabicyclo[2.1.1]hexan-1-yl]methanol;hydrochloride (CID 155973546) is [4-(methoxymethyl)-2-azabicyclo[2.1.1]hexan-1-yl]methanol;hydrochloride.
What is the SMILES notation for [4-(methoxymethyl)-2-azabicyclo[2.1.1]hexan-1-yl]methanol;hydrochloride?
The canonical SMILES for [4-(methoxymethyl)-2-azabicyclo[2.1.1]hexan-1-yl]methanol;hydrochloride is COCC12CNC(CO)(C1)C2.Cl.
What is the InChIKey of [4-(methoxymethyl)-2-azabicyclo[2.1.1]hexan-1-yl]methanol;hydrochloride?
The InChIKey is GUEFCOHGAKRWQH-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H15NO2.ClH/c1-11-6-7-2-8(3-7,5-10)9-4-7;/h9-10H,2-6H2,1H3;1H.
What are the key properties of [4-(methoxymethyl)-2-azabicyclo[2.1.1]hexan-1-yl]methanol;hydrochloride?
[4-(methoxymethyl)-2-azabicyclo[2.1.1]hexan-1-yl]methanol;hydrochloride has a molecular weight of 193.67 g/mol, XLogP of 0.17, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(methoxymethyl)-2-azabicyclo[2.1.1]hexan-1-yl]methanol;hydrochloride is sourced from PubChem (CID 155973546), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).