(3S,4S)-4-morpholin-4-ylpyrrolidin-3-ol;dihydrochloride

C8H18Cl2N2O2 — CID 71311034

IUPAC(3S,4S)-4-morpholin-4-ylpyrrolidin-3-ol;dihydrochloride
SMILESCl.Cl.O[C@H]1CNC[C@@H]1N1CCOCC1
InChIInChI=1S/C8H16N2O2.2ClH/c11-8-6-9-5-7(8)10-1-3-12-4-2-10;;/h7-9,11H,1-6H2;2*1H/t7-,8-;;/m0../s1
InChIKeyFYRDBEHYFIRUNY-FOMWZSOGSA-N
MW245.15 g/mol
LogP-0.51
Rot. Bonds1

About (3S,4S)-4-morpholin-4-ylpyrrolidin-3-ol;dihydrochloride

(3S,4S)-4-morpholin-4-ylpyrrolidin-3-ol;dihydrochloride (PubChem CID 71311034) has the molecular formula C8H18Cl2N2O2 and a molecular weight of 245.15 g/mol. Its IUPAC name is (3S,4S)-4-morpholin-4-ylpyrrolidin-3-ol;dihydrochloride.

Molecular Properties

Compound Name(3S,4S)-4-morpholin-4-ylpyrrolidin-3-ol;dihydrochloride
PubChem CID71311034
Molecular FormulaC8H18Cl2N2O2
Molecular Weight245.15 g/mol
Exact Mass244.07
IUPAC Name(3S,4S)-4-morpholin-4-ylpyrrolidin-3-ol;dihydrochloride
SMILESCl.Cl.O[C@H]1CNC[C@@H]1N1CCOCC1
InChIInChI=1S/C8H16N2O2.2ClH/c11-8-6-9-5-7(8)10-1-3-12-4-2-10;;/h7-9,11H,1-6H2;2*1H/t7-,8-;;/m0../s1
InChIKeyFYRDBEHYFIRUNY-FOMWZSOGSA-N
XLogP-0.51
TPSA44.73 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.15
LogP ≤ 5-0.51
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (3S,4S)-4-morpholin-4-ylpyrrolidin-3-ol;dihydrochloride?
The IUPAC name of (3S,4S)-4-morpholin-4-ylpyrrolidin-3-ol;dihydrochloride (CID 71311034) is (3S,4S)-4-morpholin-4-ylpyrrolidin-3-ol;dihydrochloride.
What is the SMILES notation for (3S,4S)-4-morpholin-4-ylpyrrolidin-3-ol;dihydrochloride?
The canonical SMILES for (3S,4S)-4-morpholin-4-ylpyrrolidin-3-ol;dihydrochloride is Cl.Cl.O[C@H]1CNC[C@@H]1N1CCOCC1.
What is the InChIKey of (3S,4S)-4-morpholin-4-ylpyrrolidin-3-ol;dihydrochloride?
The InChIKey is FYRDBEHYFIRUNY-FOMWZSOGSA-N. The full InChI is InChI=1S/C8H16N2O2.2ClH/c11-8-6-9-5-7(8)10-1-3-12-4-2-10;;/h7-9,11H,1-6H2;2*1H/t7-,8-;;/m0../s1.
What are the key properties of (3S,4S)-4-morpholin-4-ylpyrrolidin-3-ol;dihydrochloride?
(3S,4S)-4-morpholin-4-ylpyrrolidin-3-ol;dihydrochloride has a molecular weight of 245.15 g/mol, XLogP of -0.51, 1 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3S,4S)-4-morpholin-4-ylpyrrolidin-3-ol;dihydrochloride is sourced from PubChem (CID 71311034), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).