4-[[(2-morpholin-4-ylphenyl)methylamino]methyl]pyrrolidin-3-ol;hydrochloride

C16H26ClN3O2 — CID 120962200

IUPAC4-[[(2-morpholin-4-ylphenyl)methylamino]methyl]pyrrolidin-3-ol;hydrochloride
SMILESCl.OC1CNCC1CNCc1ccccc1N1CCOCC1
InChIInChI=1S/C16H25N3O2.ClH/c20-16-12-18-11-14(16)10-17-9-13-3-1-2-4-15(13)19-5-7-21-8-6-19;/h1-4,14,16-18,20H,5-12H2;1H
InChIKeyZQVXISFNJPYKNB-UHFFFAOYSA-N
MW327.86 g/mol
LogP0.61
Rot. Bonds5

About 4-[[(2-morpholin-4-ylphenyl)methylamino]methyl]pyrrolidin-3-ol;hydrochloride

4-[[(2-morpholin-4-ylphenyl)methylamino]methyl]pyrrolidin-3-ol;hydrochloride (PubChem CID 120962200) has the molecular formula C16H26ClN3O2 and a molecular weight of 327.86 g/mol. Its IUPAC name is 4-[[(2-morpholin-4-ylphenyl)methylamino]methyl]pyrrolidin-3-ol;hydrochloride.

Molecular Properties

Compound Name4-[[(2-morpholin-4-ylphenyl)methylamino]methyl]pyrrolidin-3-ol;hydrochloride
PubChem CID120962200
Molecular FormulaC16H26ClN3O2
Molecular Weight327.86 g/mol
Exact Mass327.17
IUPAC Name4-[[(2-morpholin-4-ylphenyl)methylamino]methyl]pyrrolidin-3-ol;hydrochloride
SMILESCl.OC1CNCC1CNCc1ccccc1N1CCOCC1
InChIInChI=1S/C16H25N3O2.ClH/c20-16-12-18-11-14(16)10-17-9-13-3-1-2-4-15(13)19-5-7-21-8-6-19;/h1-4,14,16-18,20H,5-12H2;1H
InChIKeyZQVXISFNJPYKNB-UHFFFAOYSA-N
XLogP0.61
TPSA56.76 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.86
LogP ≤ 50.61
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-[[(2-morpholin-4-ylphenyl)methylamino]methyl]pyrrolidin-3-ol;hydrochloride?
The IUPAC name of 4-[[(2-morpholin-4-ylphenyl)methylamino]methyl]pyrrolidin-3-ol;hydrochloride (CID 120962200) is 4-[[(2-morpholin-4-ylphenyl)methylamino]methyl]pyrrolidin-3-ol;hydrochloride.
What is the SMILES notation for 4-[[(2-morpholin-4-ylphenyl)methylamino]methyl]pyrrolidin-3-ol;hydrochloride?
The canonical SMILES for 4-[[(2-morpholin-4-ylphenyl)methylamino]methyl]pyrrolidin-3-ol;hydrochloride is Cl.OC1CNCC1CNCc1ccccc1N1CCOCC1.
What is the InChIKey of 4-[[(2-morpholin-4-ylphenyl)methylamino]methyl]pyrrolidin-3-ol;hydrochloride?
The InChIKey is ZQVXISFNJPYKNB-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25N3O2.ClH/c20-16-12-18-11-14(16)10-17-9-13-3-1-2-4-15(13)19-5-7-21-8-6-19;/h1-4,14,16-18,20H,5-12H2;1H.
What are the key properties of 4-[[(2-morpholin-4-ylphenyl)methylamino]methyl]pyrrolidin-3-ol;hydrochloride?
4-[[(2-morpholin-4-ylphenyl)methylamino]methyl]pyrrolidin-3-ol;hydrochloride has a molecular weight of 327.86 g/mol, XLogP of 0.61, 5 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[(2-morpholin-4-ylphenyl)methylamino]methyl]pyrrolidin-3-ol;hydrochloride is sourced from PubChem (CID 120962200), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).