4-[[(2S)-pyrrolidin-2-yl]methyl]morpholine;dihydrochloride

C9H20Cl2N2O — CID 122361110

IUPAC4-[[(2S)-pyrrolidin-2-yl]methyl]morpholine;dihydrochloride
SMILESC1CN[C@H](CN2CCOCC2)C1.Cl.Cl
InChIInChI=1S/C9H18N2O.2ClH/c1-2-9(10-3-1)8-11-4-6-12-7-5-11;;/h9-10H,1-8H2;2*1H/t9-;;/m0../s1
InChIKeyJBPYQHONNDBVST-WWPIYYJJSA-N
MW243.18 g/mol
LogP0.91
Rot. Bonds2

About 4-[[(2S)-pyrrolidin-2-yl]methyl]morpholine;dihydrochloride

4-[[(2S)-pyrrolidin-2-yl]methyl]morpholine;dihydrochloride (PubChem CID 122361110) has the molecular formula C9H20Cl2N2O and a molecular weight of 243.18 g/mol. Its IUPAC name is 4-[[(2S)-pyrrolidin-2-yl]methyl]morpholine;dihydrochloride.

Molecular Properties

Compound Name4-[[(2S)-pyrrolidin-2-yl]methyl]morpholine;dihydrochloride
PubChem CID122361110
Molecular FormulaC9H20Cl2N2O
Molecular Weight243.18 g/mol
Exact Mass242.10
IUPAC Name4-[[(2S)-pyrrolidin-2-yl]methyl]morpholine;dihydrochloride
SMILESC1CN[C@H](CN2CCOCC2)C1.Cl.Cl
InChIInChI=1S/C9H18N2O.2ClH/c1-2-9(10-3-1)8-11-4-6-12-7-5-11;;/h9-10H,1-8H2;2*1H/t9-;;/m0../s1
InChIKeyJBPYQHONNDBVST-WWPIYYJJSA-N
XLogP0.91
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.18
LogP ≤ 50.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(pyrrolidin-2-ylmethyl)piperazine
CID 53406264
ethane;propane;1-(pyrrolidin-2-ylmethyl)pyrrolidine
CID 143192100
2-methyl-4-(pyrrolidin-2-ylmethyl)morpholine
CID 43199476
4-[(4-methylpiperidin-2-yl)methyl]morpholine
CID 114421101
2,2-dimethyl-4-[[(2S)-pyrrolidin-2-yl]methyl]morpholine
CID 93204728
[1-[[(2S)-pyrrolidin-2-yl]methyl]piperidin-4-yl]methanamine
CID 130690026
4-propan-2-yl-1-[[(2R)-pyrrolidin-2-yl]methyl]piperidine
CID 103495902
2-[2-(oxan-4-yl)ethyl]pyrrolidine;hydrochloride
CID 126845736
3-(pyrrolidin-1-ylmethyl)morpholine;dihydrochloride
CID 18915160
1-cyclohexyl-4-[[(2S)-pyrrolidin-2-yl]methyl]piperazine
CID 126542421
1-(pyrrolidin-2-ylmethyl)-4-(2,2,2-trifluoroethyl)piperazine
CID 55142508
3-methyl-4-[[(2R)-pyrrolidin-2-yl]methyl]morpholine
CID 102819349

Frequently Asked Questions

What is the IUPAC name of 4-[[(2S)-pyrrolidin-2-yl]methyl]morpholine;dihydrochloride?
The IUPAC name of 4-[[(2S)-pyrrolidin-2-yl]methyl]morpholine;dihydrochloride (CID 122361110) is 4-[[(2S)-pyrrolidin-2-yl]methyl]morpholine;dihydrochloride.
What is the SMILES notation for 4-[[(2S)-pyrrolidin-2-yl]methyl]morpholine;dihydrochloride?
The canonical SMILES for 4-[[(2S)-pyrrolidin-2-yl]methyl]morpholine;dihydrochloride is C1CN[C@H](CN2CCOCC2)C1.Cl.Cl.
What is the InChIKey of 4-[[(2S)-pyrrolidin-2-yl]methyl]morpholine;dihydrochloride?
The InChIKey is JBPYQHONNDBVST-WWPIYYJJSA-N. The full InChI is InChI=1S/C9H18N2O.2ClH/c1-2-9(10-3-1)8-11-4-6-12-7-5-11;;/h9-10H,1-8H2;2*1H/t9-;;/m0../s1.
What are the key properties of 4-[[(2S)-pyrrolidin-2-yl]methyl]morpholine;dihydrochloride?
4-[[(2S)-pyrrolidin-2-yl]methyl]morpholine;dihydrochloride has a molecular weight of 243.18 g/mol, XLogP of 0.91, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[(2S)-pyrrolidin-2-yl]methyl]morpholine;dihydrochloride is sourced from PubChem (CID 122361110), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).