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

C8H17ClN2O2 — CID 156592153

IUPAC(3S,4S)-4-morpholin-4-ylpyrrolidin-3-ol;hydrochloride
SMILESCl.O[C@H]1CNC[C@@H]1N1CCOCC1
InChIInChI=1S/C8H16N2O2.ClH/c11-8-6-9-5-7(8)10-1-3-12-4-2-10;/h7-9,11H,1-6H2;1H/t7-,8-;/m0./s1
InChIKeyRCRSXWJNJVYRHE-WSZWBAFRSA-N
MW208.69 g/mol
LogP-0.93
Rot. Bonds1

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

(3S,4S)-4-morpholin-4-ylpyrrolidin-3-ol;hydrochloride (PubChem CID 156592153) has the molecular formula C8H17ClN2O2 and a molecular weight of 208.69 g/mol. Its IUPAC name is (3S,4S)-4-morpholin-4-ylpyrrolidin-3-ol;hydrochloride.

Molecular Properties

Compound Name(3S,4S)-4-morpholin-4-ylpyrrolidin-3-ol;hydrochloride
PubChem CID156592153
Molecular FormulaC8H17ClN2O2
Molecular Weight208.69 g/mol
Exact Mass208.10
IUPAC Name(3S,4S)-4-morpholin-4-ylpyrrolidin-3-ol;hydrochloride
SMILESCl.O[C@H]1CNC[C@@H]1N1CCOCC1
InChIInChI=1S/C8H16N2O2.ClH/c11-8-6-9-5-7(8)10-1-3-12-4-2-10;/h7-9,11H,1-6H2;1H/t7-,8-;/m0./s1
InChIKeyRCRSXWJNJVYRHE-WSZWBAFRSA-N
XLogP-0.93
TPSA44.73 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.69
LogP ≤ 5-0.93
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;hydrochloride?
The IUPAC name of (3S,4S)-4-morpholin-4-ylpyrrolidin-3-ol;hydrochloride (CID 156592153) is (3S,4S)-4-morpholin-4-ylpyrrolidin-3-ol;hydrochloride.
What is the SMILES notation for (3S,4S)-4-morpholin-4-ylpyrrolidin-3-ol;hydrochloride?
The canonical SMILES for (3S,4S)-4-morpholin-4-ylpyrrolidin-3-ol;hydrochloride is Cl.O[C@H]1CNC[C@@H]1N1CCOCC1.
What is the InChIKey of (3S,4S)-4-morpholin-4-ylpyrrolidin-3-ol;hydrochloride?
The InChIKey is RCRSXWJNJVYRHE-WSZWBAFRSA-N. The full InChI is InChI=1S/C8H16N2O2.ClH/c11-8-6-9-5-7(8)10-1-3-12-4-2-10;/h7-9,11H,1-6H2;1H/t7-,8-;/m0./s1.
What are the key properties of (3S,4S)-4-morpholin-4-ylpyrrolidin-3-ol;hydrochloride?
(3S,4S)-4-morpholin-4-ylpyrrolidin-3-ol;hydrochloride has a molecular weight of 208.69 g/mol, XLogP of -0.93, 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;hydrochloride is sourced from PubChem (CID 156592153), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).