2-(pyrrolidin-1-ylmethyl)morpholine;dihydrochloride

C9H20Cl2N2O — CID 53407663

IUPAC2-(pyrrolidin-1-ylmethyl)morpholine;dihydrochloride
SMILESC1CCN(CC2CNCCO2)C1.Cl.Cl
InChIInChI=1S/C9H18N2O.2ClH/c1-2-5-11(4-1)8-9-7-10-3-6-12-9;;/h9-10H,1-8H2;2*1H
InChIKeyVAZXWHZFTSUKLF-UHFFFAOYSA-N
MW243.18 g/mol
LogP0.91
Rot. Bonds2

About 2-(pyrrolidin-1-ylmethyl)morpholine;dihydrochloride

2-(pyrrolidin-1-ylmethyl)morpholine;dihydrochloride (PubChem CID 53407663) has the molecular formula C9H20Cl2N2O and a molecular weight of 243.18 g/mol. Its IUPAC name is 2-(pyrrolidin-1-ylmethyl)morpholine;dihydrochloride.

Molecular Properties

Compound Name2-(pyrrolidin-1-ylmethyl)morpholine;dihydrochloride
PubChem CID53407663
Molecular FormulaC9H20Cl2N2O
Molecular Weight243.18 g/mol
Exact Mass242.10
IUPAC Name2-(pyrrolidin-1-ylmethyl)morpholine;dihydrochloride
SMILESC1CCN(CC2CNCCO2)C1.Cl.Cl
InChIInChI=1S/C9H18N2O.2ClH/c1-2-5-11(4-1)8-9-7-10-3-6-12-9;;/h9-10H,1-8H2;2*1H
InChIKeyVAZXWHZFTSUKLF-UHFFFAOYSA-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

(2R)-2-(piperidin-1-ylmethyl)morpholine
CID 7107506
2-(azetidin-1-ylmethyl)morpholine
CID 68846635
2-[(4-methylpiperazin-1-yl)methyl]morpholine
CID 14627568
2-[(3-methylazetidin-1-yl)methyl]morpholine
CID 115324331
3-(morpholin-2-ylmethyl)-8-oxa-3-azabicyclo[3.2.1]octane
CID 66394047
2-[(1-methyl-2,3,4,4a,5,7,8,8a-octahydro-1,6-naphthyridin-6-yl)methyl]morpholine
CID 81199769
2-[(3,4-dimethoxypyrrolidin-1-yl)methyl]morpholine
CID 103533931
2-[(3-tert-butylazetidin-1-yl)methyl]morpholine
CID 115324324
1-(oxiran-2-ylmethyl)pyrrolidine
CID 13313617
1-[[(2R)-oxiran-2-yl]methyl]pyrrolidine
CID 40505235
2-ethylmorpholine;1-methylpyrrolidine
CID 67235246
2-(morpholin-2-ylmethyl)morpholine
CID 18506039

Frequently Asked Questions

What is the IUPAC name of 2-(pyrrolidin-1-ylmethyl)morpholine;dihydrochloride?
The IUPAC name of 2-(pyrrolidin-1-ylmethyl)morpholine;dihydrochloride (CID 53407663) is 2-(pyrrolidin-1-ylmethyl)morpholine;dihydrochloride.
What is the SMILES notation for 2-(pyrrolidin-1-ylmethyl)morpholine;dihydrochloride?
The canonical SMILES for 2-(pyrrolidin-1-ylmethyl)morpholine;dihydrochloride is C1CCN(CC2CNCCO2)C1.Cl.Cl.
What is the InChIKey of 2-(pyrrolidin-1-ylmethyl)morpholine;dihydrochloride?
The InChIKey is VAZXWHZFTSUKLF-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H18N2O.2ClH/c1-2-5-11(4-1)8-9-7-10-3-6-12-9;;/h9-10H,1-8H2;2*1H.
What are the key properties of 2-(pyrrolidin-1-ylmethyl)morpholine;dihydrochloride?
2-(pyrrolidin-1-ylmethyl)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 2-(pyrrolidin-1-ylmethyl)morpholine;dihydrochloride is sourced from PubChem (CID 53407663), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).