4-[3-[(3-propan-2-yloxyphenyl)methyl]-3-azabicyclo[3.3.1]nonan-9-yl]morpholine;dihydrochloride

C22H36Cl2N2O2 — CID 171671823

IUPAC4-[3-[(3-propan-2-yloxyphenyl)methyl]-3-azabicyclo[3.3.1]nonan-9-yl]morpholine;dihydrochloride
SMILESCC(C)Oc1cccc(CN2CC3CCCC(C2)C3N2CCOCC2)c1.Cl.Cl
InChIInChI=1S/C22H34N2O2.2ClH/c1-17(2)26-21-8-3-5-18(13-21)14-23-15-19-6-4-7-20(16-23)22(19)24-9-11-25-12-10-24;;/h3,5,8,13,17,19-20,22H,4,6-7,9-12,14-16H2,1-2H3;2*1H
InChIKeyZNCZCWVZNMMQGH-UHFFFAOYSA-N
MW431.45 g/mol
LogP4.25
Rot. Bonds5

About 4-[3-[(3-propan-2-yloxyphenyl)methyl]-3-azabicyclo[3.3.1]nonan-9-yl]morpholine;dihydrochloride

4-[3-[(3-propan-2-yloxyphenyl)methyl]-3-azabicyclo[3.3.1]nonan-9-yl]morpholine;dihydrochloride (PubChem CID 171671823) has the molecular formula C22H36Cl2N2O2 and a molecular weight of 431.45 g/mol. Its IUPAC name is 4-[3-[(3-propan-2-yloxyphenyl)methyl]-3-azabicyclo[3.3.1]nonan-9-yl]morpholine;dihydrochloride.

Molecular Properties

Compound Name4-[3-[(3-propan-2-yloxyphenyl)methyl]-3-azabicyclo[3.3.1]nonan-9-yl]morpholine;dihydrochloride
PubChem CID171671823
Molecular FormulaC22H36Cl2N2O2
Molecular Weight431.45 g/mol
Exact Mass430.22
IUPAC Name4-[3-[(3-propan-2-yloxyphenyl)methyl]-3-azabicyclo[3.3.1]nonan-9-yl]morpholine;dihydrochloride
SMILESCC(C)Oc1cccc(CN2CC3CCCC(C2)C3N2CCOCC2)c1.Cl.Cl
InChIInChI=1S/C22H34N2O2.2ClH/c1-17(2)26-21-8-3-5-18(13-21)14-23-15-19-6-4-7-20(16-23)22(19)24-9-11-25-12-10-24;;/h3,5,8,13,17,19-20,22H,4,6-7,9-12,14-16H2,1-2H3;2*1H
InChIKeyZNCZCWVZNMMQGH-UHFFFAOYSA-N
XLogP4.25
TPSA24.94 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500431.45
LogP ≤ 54.25
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 4-[3-[(3-propan-2-yloxyphenyl)methyl]-3-azabicyclo[3.3.1]nonan-9-yl]morpholine;dihydrochloride with MolForge

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Related Compounds

4-[1-[1-[(3-propan-2-yloxyphenyl)methyl]piperidin-4-yl]ethyl]morpholine
CID 70784455
(3aR,6aS)-5-[(3-propan-2-yloxyphenyl)methyl]-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrole;hydrochloride
CID 120660913
[1-[(3-propan-2-yloxyphenyl)methyl]piperidin-3-yl]methanamine;hydrochloride
CID 119915719
1-[(3-propan-2-yloxyphenyl)methyl]piperidin-4-ol
CID 51086648
2-[1-[(3-propan-2-yloxyphenyl)methyl]azetidin-3-yl]propanoic acid
CID 116684643
2-[1-[(3-propan-2-yloxyphenyl)methyl]piperidin-3-yl]ethanamine;hydrochloride
CID 120728273
trans-(1R,2S)-2-[1-[(3-propan-2-yloxyphenyl)methyl]azetidin-3-yl]cyclopropane-1-carboxylic acid
CID 166296635
3-methyl-1-[(3-propan-2-yloxyphenyl)methyl]piperidin-4-amine
CID 79880248
3-ethyl-1-[(3-propan-2-yloxyphenyl)methyl]piperidin-4-amine
CID 81458177
3,3-dimethyl-1-[(3-propan-2-yloxyphenyl)methyl]piperidin-4-amine
CID 120774958
4-[2-[3-[[(1S,5S)-3-azabicyclo[3.3.1]nonan-3-yl]methyl]phenoxy]ethyl]morpholine
CID 133117277
4-[[3-[[4-[(1R)-1-pyrrolidin-1-ylethyl]piperidin-1-yl]methyl]phenyl]methyl]morpholine
CID 95894428

Frequently Asked Questions

What is the IUPAC name of 4-[3-[(3-propan-2-yloxyphenyl)methyl]-3-azabicyclo[3.3.1]nonan-9-yl]morpholine;dihydrochloride?
The IUPAC name of 4-[3-[(3-propan-2-yloxyphenyl)methyl]-3-azabicyclo[3.3.1]nonan-9-yl]morpholine;dihydrochloride (CID 171671823) is 4-[3-[(3-propan-2-yloxyphenyl)methyl]-3-azabicyclo[3.3.1]nonan-9-yl]morpholine;dihydrochloride.
What is the SMILES notation for 4-[3-[(3-propan-2-yloxyphenyl)methyl]-3-azabicyclo[3.3.1]nonan-9-yl]morpholine;dihydrochloride?
The canonical SMILES for 4-[3-[(3-propan-2-yloxyphenyl)methyl]-3-azabicyclo[3.3.1]nonan-9-yl]morpholine;dihydrochloride is CC(C)Oc1cccc(CN2CC3CCCC(C2)C3N2CCOCC2)c1.Cl.Cl.
What is the InChIKey of 4-[3-[(3-propan-2-yloxyphenyl)methyl]-3-azabicyclo[3.3.1]nonan-9-yl]morpholine;dihydrochloride?
The InChIKey is ZNCZCWVZNMMQGH-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H34N2O2.2ClH/c1-17(2)26-21-8-3-5-18(13-21)14-23-15-19-6-4-7-20(16-23)22(19)24-9-11-25-12-10-24;;/h3,5,8,13,17,19-20,22H,4,6-7,9-12,14-16H2,1-2H3;2*1H.
What are the key properties of 4-[3-[(3-propan-2-yloxyphenyl)methyl]-3-azabicyclo[3.3.1]nonan-9-yl]morpholine;dihydrochloride?
4-[3-[(3-propan-2-yloxyphenyl)methyl]-3-azabicyclo[3.3.1]nonan-9-yl]morpholine;dihydrochloride has a molecular weight of 431.45 g/mol, XLogP of 4.25, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[3-[(3-propan-2-yloxyphenyl)methyl]-3-azabicyclo[3.3.1]nonan-9-yl]morpholine;dihydrochloride is sourced from PubChem (CID 171671823), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).