4-[2-[4-[2-methyl-1-(4-propan-2-ylpiperazin-1-yl)propan-2-yl]piperazin-1-yl]propan-2-yl]morpholine

C22H45N5O — CID 137390886

IUPAC4-[2-[4-[2-methyl-1-(4-propan-2-ylpiperazin-1-yl)propan-2-yl]piperazin-1-yl]propan-2-yl]morpholine
SMILESCC(C)N1CCN(CC(C)(C)N2CCN(C(C)(C)N3CCOCC3)CC2)CC1
InChIInChI=1S/C22H45N5O/c1-20(2)24-9-7-23(8-10-24)19-21(3,4)25-11-13-26(14-12-25)22(5,6)27-15-17-28-18-16-27/h20H,7-19H2,1-6H3
InChIKeyBMQGMLAYEMAUTF-UHFFFAOYSA-N
MW395.64 g/mol
LogP1.48
Rot. Bonds6

About 4-[2-[4-[2-methyl-1-(4-propan-2-ylpiperazin-1-yl)propan-2-yl]piperazin-1-yl]propan-2-yl]morpholine

4-[2-[4-[2-methyl-1-(4-propan-2-ylpiperazin-1-yl)propan-2-yl]piperazin-1-yl]propan-2-yl]morpholine (PubChem CID 137390886) has the molecular formula C22H45N5O and a molecular weight of 395.64 g/mol. Its IUPAC name is 4-[2-[4-[2-methyl-1-(4-propan-2-ylpiperazin-1-yl)propan-2-yl]piperazin-1-yl]propan-2-yl]morpholine.

Molecular Properties

Compound Name4-[2-[4-[2-methyl-1-(4-propan-2-ylpiperazin-1-yl)propan-2-yl]piperazin-1-yl]propan-2-yl]morpholine
PubChem CID137390886
Molecular FormulaC22H45N5O
Molecular Weight395.64 g/mol
Exact Mass395.36
IUPAC Name4-[2-[4-[2-methyl-1-(4-propan-2-ylpiperazin-1-yl)propan-2-yl]piperazin-1-yl]propan-2-yl]morpholine
SMILESCC(C)N1CCN(CC(C)(C)N2CCN(C(C)(C)N3CCOCC3)CC2)CC1
InChIInChI=1S/C22H45N5O/c1-20(2)24-9-7-23(8-10-24)19-21(3,4)25-11-13-26(14-12-25)22(5,6)27-15-17-28-18-16-27/h20H,7-19H2,1-6H3
InChIKeyBMQGMLAYEMAUTF-UHFFFAOYSA-N
XLogP1.48
TPSA25.43 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500395.64
LogP ≤ 51.48
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze 4-[2-[4-[2-methyl-1-(4-propan-2-ylpiperazin-1-yl)propan-2-yl]piperazin-1-yl]propan-2-yl]morpholine with MolForge

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Related Compounds

1-methyl-4-[1-[2-methyl-1-(4-propan-2-ylpiperazin-1-yl)propan-2-yl]piperidin-4-yl]piperazine
CID 129212775
4-(2,4-dimethylpentan-2-yl)morpholine
CID 67965122
2-methyl-2-(4-propan-2-ylpiperazin-1-yl)propan-1-amine
CID 43585088
4-[2-(1-propan-2-ylpiperidin-4-yl)oxypropan-2-yl]morpholine
CID 146947898
fluoromethane;4-propan-2-ylmorpholine
CID 177187231
(3S,4S)-1-(2-methyl-2-morpholin-4-ylpropyl)piperidine-3,4-diol
CID 131929418
1-(2,4,4,6,6-pentamethylheptan-2-yl)-4-propan-2-ylpiperazine
CID 167181196
2-methyl-2-[4-(2-morpholin-4-ylethyl)piperazin-1-yl]propan-1-amine
CID 63344155
ethane;1-propan-2-yl-4-(2,2,4-trimethylpentyl)piperazine
CID 145194127
1,2-dimorpholin-4-ylpropan-2-amine
CID 57479397
1,2-dimorpholin-4-ylpropan-2-ol
CID 154210663
1-(2,2,4,4,5-pentamethylhexyl)-4-propan-2-ylpiperazine
CID 162767005

Frequently Asked Questions

What is the IUPAC name of 4-[2-[4-[2-methyl-1-(4-propan-2-ylpiperazin-1-yl)propan-2-yl]piperazin-1-yl]propan-2-yl]morpholine?
The IUPAC name of 4-[2-[4-[2-methyl-1-(4-propan-2-ylpiperazin-1-yl)propan-2-yl]piperazin-1-yl]propan-2-yl]morpholine (CID 137390886) is 4-[2-[4-[2-methyl-1-(4-propan-2-ylpiperazin-1-yl)propan-2-yl]piperazin-1-yl]propan-2-yl]morpholine.
What is the SMILES notation for 4-[2-[4-[2-methyl-1-(4-propan-2-ylpiperazin-1-yl)propan-2-yl]piperazin-1-yl]propan-2-yl]morpholine?
The canonical SMILES for 4-[2-[4-[2-methyl-1-(4-propan-2-ylpiperazin-1-yl)propan-2-yl]piperazin-1-yl]propan-2-yl]morpholine is CC(C)N1CCN(CC(C)(C)N2CCN(C(C)(C)N3CCOCC3)CC2)CC1.
What is the InChIKey of 4-[2-[4-[2-methyl-1-(4-propan-2-ylpiperazin-1-yl)propan-2-yl]piperazin-1-yl]propan-2-yl]morpholine?
The InChIKey is BMQGMLAYEMAUTF-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H45N5O/c1-20(2)24-9-7-23(8-10-24)19-21(3,4)25-11-13-26(14-12-25)22(5,6)27-15-17-28-18-16-27/h20H,7-19H2,1-6H3.
What are the key properties of 4-[2-[4-[2-methyl-1-(4-propan-2-ylpiperazin-1-yl)propan-2-yl]piperazin-1-yl]propan-2-yl]morpholine?
4-[2-[4-[2-methyl-1-(4-propan-2-ylpiperazin-1-yl)propan-2-yl]piperazin-1-yl]propan-2-yl]morpholine has a molecular weight of 395.64 g/mol, XLogP of 1.48, 6 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-[4-[2-methyl-1-(4-propan-2-ylpiperazin-1-yl)propan-2-yl]piperazin-1-yl]propan-2-yl]morpholine is sourced from PubChem (CID 137390886), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).