4-[3-(4-methylpiperazin-1-yl)butan-2-yl]morpholine

C13H27N3O — CID 167278501

IUPAC4-[3-(4-methylpiperazin-1-yl)butan-2-yl]morpholine
SMILESCC(C(C)N1CCN(C)CC1)N1CCOCC1
InChIInChI=1S/C13H27N3O/c1-12(15-6-4-14(3)5-7-15)13(2)16-8-10-17-11-9-16/h12-13H,4-11H2,1-3H3
InChIKeyIKCVDEKAWZTLTL-UHFFFAOYSA-N
MW241.38 g/mol
LogP0.34
Rot. Bonds3

About 4-[3-(4-methylpiperazin-1-yl)butan-2-yl]morpholine

4-[3-(4-methylpiperazin-1-yl)butan-2-yl]morpholine (PubChem CID 167278501) has the molecular formula C13H27N3O and a molecular weight of 241.38 g/mol. Its IUPAC name is 4-[3-(4-methylpiperazin-1-yl)butan-2-yl]morpholine.

Molecular Properties

Compound Name4-[3-(4-methylpiperazin-1-yl)butan-2-yl]morpholine
PubChem CID167278501
Molecular FormulaC13H27N3O
Molecular Weight241.38 g/mol
Exact Mass241.22
IUPAC Name4-[3-(4-methylpiperazin-1-yl)butan-2-yl]morpholine
SMILESCC(C(C)N1CCN(C)CC1)N1CCOCC1
InChIInChI=1S/C13H27N3O/c1-12(15-6-4-14(3)5-7-15)13(2)16-8-10-17-11-9-16/h12-13H,4-11H2,1-3H3
InChIKeyIKCVDEKAWZTLTL-UHFFFAOYSA-N
XLogP0.34
TPSA18.95 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.38
LogP ≤ 50.34
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

1,4-di(propan-2-yl)piperazine;tetrakis(2-methylpropane);1-methyl-4-propan-2-ylpiperazine;4-propan-2-ylmorpholine;1-propan-2-ylpiperidine;1-propan-2-ylpyrrolidine
CID 158438628
1-methylpiperidine;4-propan-2-ylmorpholine
CID 176969911
19-methyl-1,4,7,10,13,16-hexaoxa-19-azacyclohenicosane
CID 6612303
ethane;4-methylmorpholine
CID 54432133
3-morpholin-4-yl-N-propan-2-ylbutan-2-amine
CID 115905686
1,4-dimethyl-7-propan-2-yl-1,4,7-triazonane
CID 157390684
lithium;4-methylmorpholine;chloride
CID 172748649
1-methyl-4-propan-2-ylpiperazine
CID 7471963
fluoromethane;4-propan-2-ylmorpholine
CID 177187231
4-[2-(4-methylpiperazin-1-yl)ethyl]morpholine
CID 20719664
N,2-dimethyl-3-morpholin-4-ylbutan-1-amine
CID 79414599
silver 1-morpholin-4-ylethanethiol
CID 19374206

Frequently Asked Questions

What is the IUPAC name of 4-[3-(4-methylpiperazin-1-yl)butan-2-yl]morpholine?
The IUPAC name of 4-[3-(4-methylpiperazin-1-yl)butan-2-yl]morpholine (CID 167278501) is 4-[3-(4-methylpiperazin-1-yl)butan-2-yl]morpholine.
What is the SMILES notation for 4-[3-(4-methylpiperazin-1-yl)butan-2-yl]morpholine?
The canonical SMILES for 4-[3-(4-methylpiperazin-1-yl)butan-2-yl]morpholine is CC(C(C)N1CCN(C)CC1)N1CCOCC1.
What is the InChIKey of 4-[3-(4-methylpiperazin-1-yl)butan-2-yl]morpholine?
The InChIKey is IKCVDEKAWZTLTL-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H27N3O/c1-12(15-6-4-14(3)5-7-15)13(2)16-8-10-17-11-9-16/h12-13H,4-11H2,1-3H3.
What are the key properties of 4-[3-(4-methylpiperazin-1-yl)butan-2-yl]morpholine?
4-[3-(4-methylpiperazin-1-yl)butan-2-yl]morpholine has a molecular weight of 241.38 g/mol, XLogP of 0.34, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[3-(4-methylpiperazin-1-yl)butan-2-yl]morpholine is sourced from PubChem (CID 167278501), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).