2-(2-methyl-4-piperazin-1-ylbutyl)-4-propylmorpholine

C16H33N3O — CID 146535678

IUPAC2-(2-methyl-4-piperazin-1-ylbutyl)-4-propylmorpholine
SMILESCCCN1CCOC(CC(C)CCN2CCNCC2)C1
InChIInChI=1S/C16H33N3O/c1-3-7-19-11-12-20-16(14-19)13-15(2)4-8-18-9-5-17-6-10-18/h15-17H,3-14H2,1-2H3
InChIKeyJDHAIHAXMFKENW-UHFFFAOYSA-N
MW283.46 g/mol
LogP1.42
Rot. Bonds7

About 2-(2-methyl-4-piperazin-1-ylbutyl)-4-propylmorpholine

2-(2-methyl-4-piperazin-1-ylbutyl)-4-propylmorpholine (PubChem CID 146535678) has the molecular formula C16H33N3O and a molecular weight of 283.46 g/mol. Its IUPAC name is 2-(2-methyl-4-piperazin-1-ylbutyl)-4-propylmorpholine.

Molecular Properties

Compound Name2-(2-methyl-4-piperazin-1-ylbutyl)-4-propylmorpholine
PubChem CID146535678
Molecular FormulaC16H33N3O
Molecular Weight283.46 g/mol
Exact Mass283.26
IUPAC Name2-(2-methyl-4-piperazin-1-ylbutyl)-4-propylmorpholine
SMILESCCCN1CCOC(CC(C)CCN2CCNCC2)C1
InChIInChI=1S/C16H33N3O/c1-3-7-19-11-12-20-16(14-19)13-15(2)4-8-18-9-5-17-6-10-18/h15-17H,3-14H2,1-2H3
InChIKeyJDHAIHAXMFKENW-UHFFFAOYSA-N
XLogP1.42
TPSA27.74 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.46
LogP ≤ 51.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-[2-(2,3,4-Trimethyl-5-piperidin-1-ylpentoxy)propyl]piperidine
CID 18711076
2-Piperidin-3-ylmorpholine
CID 67425490
1-[[(2S,3S,4S,5S)-4-butan-2-yl-3,4,5-trimethyloxolan-2-yl]methyl]piperazine
CID 117980026
2-[2-(3-Ethyl-5-methylpiperidin-1-yl)ethyl]-6-methyl-4-tritiomorpholine
CID 118673804
1-(Piperidin-4-ylmethyl)-4-(2-propan-2-yloxyethyl)piperazine
CID 120375286
1,2,3,6-Tetramethyl-5-[3-(3,4,5,6-tetramethylpiperazin-2-yl)butan-2-yloxymethyl]piperazine
CID 123283888
CID 123428464
CID 123428464
2-Methyl-6-[2-(6-methyl-4-propan-2-ylpiperazin-2-yl)ethyl]-4-propan-2-ylmorpholine
CID 123628455
2,4-Dimethyl-6-[2-(6-methyl-4-propan-2-ylpiperazin-2-yl)ethyl]morpholine
CID 123755933
4-Butyl-2-(2-methyl-4-piperazin-1-ylbutyl)morpholine
CID 132252731
4-(3-Methylbutyl)-2-(2-methyl-4-piperazin-1-ylbutyl)morpholine
CID 132252735
3-methyl-N-[2-methyl-3-[4-(3-methylbutyl)-6-(2-methyl-4-piperazin-1-ylbutyl)morpholin-2-yl]propyl]butan-1-amine
CID 132255722

Frequently Asked Questions

What is the IUPAC name of 2-(2-methyl-4-piperazin-1-ylbutyl)-4-propylmorpholine?
The IUPAC name of 2-(2-methyl-4-piperazin-1-ylbutyl)-4-propylmorpholine (CID 146535678) is 2-(2-methyl-4-piperazin-1-ylbutyl)-4-propylmorpholine.
What is the SMILES notation for 2-(2-methyl-4-piperazin-1-ylbutyl)-4-propylmorpholine?
The canonical SMILES for 2-(2-methyl-4-piperazin-1-ylbutyl)-4-propylmorpholine is CCCN1CCOC(CC(C)CCN2CCNCC2)C1.
What is the InChIKey of 2-(2-methyl-4-piperazin-1-ylbutyl)-4-propylmorpholine?
The InChIKey is JDHAIHAXMFKENW-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H33N3O/c1-3-7-19-11-12-20-16(14-19)13-15(2)4-8-18-9-5-17-6-10-18/h15-17H,3-14H2,1-2H3.
What are the key properties of 2-(2-methyl-4-piperazin-1-ylbutyl)-4-propylmorpholine?
2-(2-methyl-4-piperazin-1-ylbutyl)-4-propylmorpholine has a molecular weight of 283.46 g/mol, XLogP of 1.42, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-methyl-4-piperazin-1-ylbutyl)-4-propylmorpholine is sourced from PubChem (CID 146535678), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).