ethane;4-methyl-2-(piperazin-1-ylmethyl)morpholine

C12H27N3O — CID 144702613

IUPACethane;4-methyl-2-(piperazin-1-ylmethyl)morpholine
SMILESCC.CN1CCOC(CN2CCNCC2)C1
InChIInChI=1S/C10H21N3O.C2H6/c1-12-6-7-14-10(8-12)9-13-4-2-11-3-5-13;1-2/h10-11H,2-9H2,1H3;1-2H3
InChIKeyWUZUJGKFOPACSO-UHFFFAOYSA-N
MW229.37 g/mol
LogP0.25
Rot. Bonds2

About ethane;4-methyl-2-(piperazin-1-ylmethyl)morpholine

ethane;4-methyl-2-(piperazin-1-ylmethyl)morpholine (PubChem CID 144702613) has the molecular formula C12H27N3O and a molecular weight of 229.37 g/mol. Its IUPAC name is ethane;4-methyl-2-(piperazin-1-ylmethyl)morpholine.

Molecular Properties

Compound Nameethane;4-methyl-2-(piperazin-1-ylmethyl)morpholine
PubChem CID144702613
Molecular FormulaC12H27N3O
Molecular Weight229.37 g/mol
Exact Mass229.22
IUPAC Nameethane;4-methyl-2-(piperazin-1-ylmethyl)morpholine
SMILESCC.CN1CCOC(CN2CCNCC2)C1
InChIInChI=1S/C10H21N3O.C2H6/c1-12-6-7-14-10(8-12)9-13-4-2-11-3-5-13;1-2/h10-11H,2-9H2,1H3;1-2H3
InChIKeyWUZUJGKFOPACSO-UHFFFAOYSA-N
XLogP0.25
TPSA27.74 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.37
LogP ≤ 50.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-methyl-N-[(4-methylmorpholin-2-yl)methyl]-2-piperazin-1-ylethanamine
CID 79182703
(3R,4S)-1-[(4-methylmorpholin-2-yl)methyl]pyrrolidine-3,4-diol
CID 115278442
2-(3,9-diazabicyclo[4.2.1]nonan-3-ylmethyl)-4-methylmorpholine
CID 115314333
2-[1-[(4-methylmorpholin-2-yl)methyl]piperidin-4-yl]ethanamine
CID 79172349
1-[(4-methylmorpholin-2-yl)methyl]piperidine-4-carbaldehyde
CID 79182827
4-methyl-2-[(4-methylpiperazin-1-yl)methyl]-1,4-oxazepane
CID 54379759
1-[(4-methylmorpholin-2-yl)methyl]piperazine-2-carbonitrile
CID 79183062
1-[(4-methylmorpholin-2-yl)methyl]piperidine-4-carboxylic acid
CID 79182775
4-methyl-2-[(3-propan-2-yl-1,4-diazepan-1-yl)methyl]morpholine
CID 79076926
2-(bromomethyl)-6-methyl-4-[(4-methylmorpholin-2-yl)methyl]morpholine
CID 102936850
ethane;2-ethyl-4-methylmorpholine;methane
CID 178051294
1-(oxan-2-ylmethyl)piperazine
CID 14981447

Frequently Asked Questions

What is the IUPAC name of ethane;4-methyl-2-(piperazin-1-ylmethyl)morpholine?
The IUPAC name of ethane;4-methyl-2-(piperazin-1-ylmethyl)morpholine (CID 144702613) is ethane;4-methyl-2-(piperazin-1-ylmethyl)morpholine.
What is the SMILES notation for ethane;4-methyl-2-(piperazin-1-ylmethyl)morpholine?
The canonical SMILES for ethane;4-methyl-2-(piperazin-1-ylmethyl)morpholine is CC.CN1CCOC(CN2CCNCC2)C1.
What is the InChIKey of ethane;4-methyl-2-(piperazin-1-ylmethyl)morpholine?
The InChIKey is WUZUJGKFOPACSO-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H21N3O.C2H6/c1-12-6-7-14-10(8-12)9-13-4-2-11-3-5-13;1-2/h10-11H,2-9H2,1H3;1-2H3.
What are the key properties of ethane;4-methyl-2-(piperazin-1-ylmethyl)morpholine?
ethane;4-methyl-2-(piperazin-1-ylmethyl)morpholine has a molecular weight of 229.37 g/mol, XLogP of 0.25, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;4-methyl-2-(piperazin-1-ylmethyl)morpholine is sourced from PubChem (CID 144702613), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).