(4-cyclopropyloxyphenyl)-(1,4-diazabicyclo[2.2.2]octan-2-yl)methanol

C16H22N2O2 — CID 114519106

IUPAC(4-cyclopropyloxyphenyl)-(1,4-diazabicyclo[2.2.2]octan-2-yl)methanol
SMILESOC(c1ccc(OC2CC2)cc1)C1CN2CCN1CC2
InChIInChI=1S/C16H22N2O2/c19-16(15-11-17-7-9-18(15)10-8-17)12-1-3-13(4-2-12)20-14-5-6-14/h1-4,14-16,19H,5-11H2
InChIKeyYBWLNCAXAQTRGG-UHFFFAOYSA-N
MW274.36 g/mol
LogP1.26
Rot. Bonds4

About (4-cyclopropyloxyphenyl)-(1,4-diazabicyclo[2.2.2]octan-2-yl)methanol

(4-cyclopropyloxyphenyl)-(1,4-diazabicyclo[2.2.2]octan-2-yl)methanol (PubChem CID 114519106) has the molecular formula C16H22N2O2 and a molecular weight of 274.36 g/mol. Its IUPAC name is (4-cyclopropyloxyphenyl)-(1,4-diazabicyclo[2.2.2]octan-2-yl)methanol.

Molecular Properties

Compound Name(4-cyclopropyloxyphenyl)-(1,4-diazabicyclo[2.2.2]octan-2-yl)methanol
PubChem CID114519106
Molecular FormulaC16H22N2O2
Molecular Weight274.36 g/mol
Exact Mass274.17
IUPAC Name(4-cyclopropyloxyphenyl)-(1,4-diazabicyclo[2.2.2]octan-2-yl)methanol
SMILESOC(c1ccc(OC2CC2)cc1)C1CN2CCN1CC2
InChIInChI=1S/C16H22N2O2/c19-16(15-11-17-7-9-18(15)10-8-17)12-1-3-13(4-2-12)20-14-5-6-14/h1-4,14-16,19H,5-11H2
InChIKeyYBWLNCAXAQTRGG-UHFFFAOYSA-N
XLogP1.26
TPSA35.94 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.36
LogP ≤ 51.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze (4-cyclopropyloxyphenyl)-(1,4-diazabicyclo[2.2.2]octan-2-yl)methanol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

[(4-cyclopropyloxyphenyl)-(1,4-diazabicyclo[2.2.2]octan-2-yl)methyl]hydrazine
CID 105249906
1,4-diazabicyclo[2.2.2]octan-2-yl-(4-propoxyphenyl)methanol
CID 79969175
cyclobutyl-(4-cyclopropyloxyphenyl)methanol
CID 114518671
1,4-diazabicyclo[2.2.2]octan-2-yl(thiophen-3-yl)methanol
CID 79969742
1,4-diazabicyclo[2.2.2]octan-2-yl-(2,5-dimethoxyphenyl)methanol
CID 79970068
(4-cyclopropyloxyphenyl)-(4-ethoxyphenyl)methanol
CID 114518502
1,4-diazabicyclo[2.2.2]octan-2-yl(quinolin-7-yl)methanol
CID 81210048
1-(4-cyclopropyloxyphenyl)propan-1-ol
CID 114518583
1-(4-cyclopropyloxyphenyl)-2-ethoxyethanol
CID 114519068
(4-cyclopropyloxyphenyl)-(2,3-dihydro-1-benzothiophen-3-yl)methanol
CID 105131461
(4-cyclopropyloxyphenyl)-(4-cyclopropylphenyl)methanol
CID 114518662
(4-cyclopropyloxyphenyl)-(2,2-dimethylcyclohexyl)methanol
CID 107193010

Frequently Asked Questions

What is the IUPAC name of (4-cyclopropyloxyphenyl)-(1,4-diazabicyclo[2.2.2]octan-2-yl)methanol?
The IUPAC name of (4-cyclopropyloxyphenyl)-(1,4-diazabicyclo[2.2.2]octan-2-yl)methanol (CID 114519106) is (4-cyclopropyloxyphenyl)-(1,4-diazabicyclo[2.2.2]octan-2-yl)methanol.
What is the SMILES notation for (4-cyclopropyloxyphenyl)-(1,4-diazabicyclo[2.2.2]octan-2-yl)methanol?
The canonical SMILES for (4-cyclopropyloxyphenyl)-(1,4-diazabicyclo[2.2.2]octan-2-yl)methanol is OC(c1ccc(OC2CC2)cc1)C1CN2CCN1CC2.
What is the InChIKey of (4-cyclopropyloxyphenyl)-(1,4-diazabicyclo[2.2.2]octan-2-yl)methanol?
The InChIKey is YBWLNCAXAQTRGG-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22N2O2/c19-16(15-11-17-7-9-18(15)10-8-17)12-1-3-13(4-2-12)20-14-5-6-14/h1-4,14-16,19H,5-11H2.
What are the key properties of (4-cyclopropyloxyphenyl)-(1,4-diazabicyclo[2.2.2]octan-2-yl)methanol?
(4-cyclopropyloxyphenyl)-(1,4-diazabicyclo[2.2.2]octan-2-yl)methanol has a molecular weight of 274.36 g/mol, XLogP of 1.26, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (4-cyclopropyloxyphenyl)-(1,4-diazabicyclo[2.2.2]octan-2-yl)methanol is sourced from PubChem (CID 114519106), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).