4-[(3S)-pyrrolidin-3-yl]morpholine;dihydrochloride

C8H18Cl2N2O — CID 127255537

IUPAC4-[(3S)-pyrrolidin-3-yl]morpholine;dihydrochloride
SMILESC1C[C@H](N2CCOCC2)CN1.Cl.Cl
InChIInChI=1S/C8H16N2O.2ClH/c1-2-9-7-8(1)10-3-5-11-6-4-10;;/h8-9H,1-7H2;2*1H/t8-;;/m0../s1
InChIKeyJOKGCNPIOYEVKV-JZGIKJSDSA-N
MW229.15 g/mol
LogP0.52
Rot. Bonds1

About 4-[(3S)-pyrrolidin-3-yl]morpholine;dihydrochloride

4-[(3S)-pyrrolidin-3-yl]morpholine;dihydrochloride (PubChem CID 127255537) has the molecular formula C8H18Cl2N2O and a molecular weight of 229.15 g/mol. Its IUPAC name is 4-[(3S)-pyrrolidin-3-yl]morpholine;dihydrochloride.

Molecular Properties

Compound Name4-[(3S)-pyrrolidin-3-yl]morpholine;dihydrochloride
PubChem CID127255537
Molecular FormulaC8H18Cl2N2O
Molecular Weight229.15 g/mol
Exact Mass228.08
IUPAC Name4-[(3S)-pyrrolidin-3-yl]morpholine;dihydrochloride
SMILESC1C[C@H](N2CCOCC2)CN1.Cl.Cl
InChIInChI=1S/C8H16N2O.2ClH/c1-2-9-7-8(1)10-3-5-11-6-4-10;;/h8-9H,1-7H2;2*1H/t8-;;/m0../s1
InChIKeyJOKGCNPIOYEVKV-JZGIKJSDSA-N
XLogP0.52
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.15
LogP ≤ 50.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-[(3S)-pyrrolidin-3-yl]morpholine;dihydrochloride?
The IUPAC name of 4-[(3S)-pyrrolidin-3-yl]morpholine;dihydrochloride (CID 127255537) is 4-[(3S)-pyrrolidin-3-yl]morpholine;dihydrochloride.
What is the SMILES notation for 4-[(3S)-pyrrolidin-3-yl]morpholine;dihydrochloride?
The canonical SMILES for 4-[(3S)-pyrrolidin-3-yl]morpholine;dihydrochloride is C1C[C@H](N2CCOCC2)CN1.Cl.Cl.
What is the InChIKey of 4-[(3S)-pyrrolidin-3-yl]morpholine;dihydrochloride?
The InChIKey is JOKGCNPIOYEVKV-JZGIKJSDSA-N. The full InChI is InChI=1S/C8H16N2O.2ClH/c1-2-9-7-8(1)10-3-5-11-6-4-10;;/h8-9H,1-7H2;2*1H/t8-;;/m0../s1.
What are the key properties of 4-[(3S)-pyrrolidin-3-yl]morpholine;dihydrochloride?
4-[(3S)-pyrrolidin-3-yl]morpholine;dihydrochloride has a molecular weight of 229.15 g/mol, XLogP of 0.52, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(3S)-pyrrolidin-3-yl]morpholine;dihydrochloride is sourced from PubChem (CID 127255537), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).