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

C9H20Cl2N2O — CID 18915160

IUPAC3-(pyrrolidin-1-ylmethyl)morpholine;dihydrochloride
SMILESC1CCN(CC2COCCN2)C1.Cl.Cl
InChIInChI=1S/C9H18N2O.2ClH/c1-2-5-11(4-1)7-9-8-12-6-3-10-9;;/h9-10H,1-8H2;2*1H
InChIKeyAMZPPUXZAKGDOH-UHFFFAOYSA-N
MW243.18 g/mol
LogP0.91
Rot. Bonds2

About 3-(pyrrolidin-1-ylmethyl)morpholine;dihydrochloride

3-(pyrrolidin-1-ylmethyl)morpholine;dihydrochloride (PubChem CID 18915160) has the molecular formula C9H20Cl2N2O and a molecular weight of 243.18 g/mol. Its IUPAC name is 3-(pyrrolidin-1-ylmethyl)morpholine;dihydrochloride.

Molecular Properties

Compound Name3-(pyrrolidin-1-ylmethyl)morpholine;dihydrochloride
PubChem CID18915160
Molecular FormulaC9H20Cl2N2O
Molecular Weight243.18 g/mol
Exact Mass242.10
IUPAC Name3-(pyrrolidin-1-ylmethyl)morpholine;dihydrochloride
SMILESC1CCN(CC2COCCN2)C1.Cl.Cl
InChIInChI=1S/C9H18N2O.2ClH/c1-2-5-11(4-1)7-9-8-12-6-3-10-9;;/h9-10H,1-8H2;2*1H
InChIKeyAMZPPUXZAKGDOH-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

3-(3,6-dihydro-2H-pyridin-1-ylmethyl)morpholine
CID 114410521
(3S)-3-[[(2S)-2-methylpiperidin-1-yl]methyl]morpholine
CID 124746471
4-[[(2S)-pyrrolidin-2-yl]methyl]morpholine;dihydrochloride
CID 122361110
2-(morpholin-3-ylmethyl)thiazinane 1,1-dioxide
CID 103549584
3-[(3-propylazetidin-1-yl)methyl]morpholine
CID 103549583
3-[(5-methyl-3,6-dihydro-2H-pyridin-1-yl)methyl]morpholine
CID 106314919
1-(aziridin-2-ylmethyl)piperidine
CID 21193250
3-(pyrrolidin-1-ylmethylsulfanyl)morpholine
CID 57182320
3-[[(2S,6R)-2,6-dimethylpiperidin-1-yl]methyl]morpholine
CID 104967658
3-(bromomethyl)morpholine
CID 70577689
4-(2-morpholin-3-ylethyl)-1,4-thiazepane 1,1-dioxide
CID 114083521
3-[2-(azetidin-1-yl)propyl]morpholine
CID 130548634

Frequently Asked Questions

What is the IUPAC name of 3-(pyrrolidin-1-ylmethyl)morpholine;dihydrochloride?
The IUPAC name of 3-(pyrrolidin-1-ylmethyl)morpholine;dihydrochloride (CID 18915160) is 3-(pyrrolidin-1-ylmethyl)morpholine;dihydrochloride.
What is the SMILES notation for 3-(pyrrolidin-1-ylmethyl)morpholine;dihydrochloride?
The canonical SMILES for 3-(pyrrolidin-1-ylmethyl)morpholine;dihydrochloride is C1CCN(CC2COCCN2)C1.Cl.Cl.
What is the InChIKey of 3-(pyrrolidin-1-ylmethyl)morpholine;dihydrochloride?
The InChIKey is AMZPPUXZAKGDOH-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H18N2O.2ClH/c1-2-5-11(4-1)7-9-8-12-6-3-10-9;;/h9-10H,1-8H2;2*1H.
What are the key properties of 3-(pyrrolidin-1-ylmethyl)morpholine;dihydrochloride?
3-(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 3-(pyrrolidin-1-ylmethyl)morpholine;dihydrochloride is sourced from PubChem (CID 18915160), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).