1-methyl-4-(2-methylpropyl)piperazine;4-(2-methylpropyl)morpholine;1-(2-methylpropyl)piperazine;1-(2-methylpropyl)piperidine

C34H74N6O — CID 158464480

IUPAC1-methyl-4-(2-methylpropyl)piperazine;4-(2-methylpropyl)morpholine;1-(2-methylpropyl)piperazine;1-(2-methylpropyl)piperidine
SMILESCC(C)CN1CCCCC1.CC(C)CN1CCN(C)CC1.CC(C)CN1CCNCC1.CC(C)CN1CCOCC1
InChIInChI=1S/C9H20N2.C9H19N.C8H18N2.C8H17NO/c1-9(2)8-11-6-4-10(3)5-7-11;1-9(2)8-10-6-4-3-5-7-10;1-8(2)7-10-5-3-9-4-6-10;1-8(2)7-9-3-5-10-6-4-9/h9H,4-8H2,1-3H3;9H,3-8H2,1-2H3;8-9H,3-7H2,1-2H3;8H,3-7H2,1-2H3
InChIKeyHFOVDTDTAPNVRI-UHFFFAOYSA-N
MW583.01 g/mol
LogP4.54
Rot. Bonds8

About 1-methyl-4-(2-methylpropyl)piperazine;4-(2-methylpropyl)morpholine;1-(2-methylpropyl)piperazine;1-(2-methylpropyl)piperidine

1-methyl-4-(2-methylpropyl)piperazine;4-(2-methylpropyl)morpholine;1-(2-methylpropyl)piperazine;1-(2-methylpropyl)piperidine (PubChem CID 158464480) has the molecular formula C34H74N6O and a molecular weight of 583.01 g/mol. Its IUPAC name is 1-methyl-4-(2-methylpropyl)piperazine;4-(2-methylpropyl)morpholine;1-(2-methylpropyl)piperazine;1-(2-methylpropyl)piperidine.

Molecular Properties

Compound Name1-methyl-4-(2-methylpropyl)piperazine;4-(2-methylpropyl)morpholine;1-(2-methylpropyl)piperazine;1-(2-methylpropyl)piperidine
PubChem CID158464480
Molecular FormulaC34H74N6O
Molecular Weight583.01 g/mol
Exact Mass582.59
IUPAC Name1-methyl-4-(2-methylpropyl)piperazine;4-(2-methylpropyl)morpholine;1-(2-methylpropyl)piperazine;1-(2-methylpropyl)piperidine
SMILESCC(C)CN1CCCCC1.CC(C)CN1CCN(C)CC1.CC(C)CN1CCNCC1.CC(C)CN1CCOCC1
InChIInChI=1S/C9H20N2.C9H19N.C8H18N2.C8H17NO/c1-9(2)8-11-6-4-10(3)5-7-11;1-9(2)8-10-6-4-3-5-7-10;1-8(2)7-10-5-3-9-4-6-10;1-8(2)7-9-3-5-10-6-4-9/h9H,4-8H2,1-3H3;9H,3-8H2,1-2H3;8-9H,3-7H2,1-2H3;8H,3-7H2,1-2H3
InChIKeyHFOVDTDTAPNVRI-UHFFFAOYSA-N
XLogP4.54
TPSA37.46 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms41
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500583.01
LogP ≤ 54.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze 1-methyl-4-(2-methylpropyl)piperazine;4-(2-methylpropyl)morpholine;1-(2-methylpropyl)piperazine;1-(2-methylpropyl)piperidine with MolForge

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Related Compounds

4-(4-Methyl-2-piperazin-1-yl-3-piperidin-1-yl-3-pyrrolidin-1-ylpiperazin-2-yl)morpholine
CID 54485847
2-Methylpiperidine;4-(2-piperazin-1-ylethyl)morpholine
CID 68616628
1-(2-Morpholin-4-ylethyl)piperidin-4-amine
CID 70274947
4-[3-(4-Methylpiperazin-1-yl)-2-piperidin-1-ylpiperidin-2-yl]morpholine
CID 90903170
4-[3-(4-Methylpiperazin-1-yl)-2-piperazin-1-ylpiperidin-2-yl]morpholine
CID 90903647
1,3-bis(4-methylpiperazin-1-yl)propan-2-amine;1-butylpiperidine;N,N-diethyl-2-methylpropan-1-amine;4-(2-methylpropyl)morpholine;1-(2-methylpropyl)piperidine;N,N,2,2-tetramethylpropan-1-amine
CID 91291877
4-Butylmorpholine;1-butylpiperazine;4-(2,4-dimethylpentyl)morpholine;ethane
CID 142134619
Ethane;morpholine;bis(piperidine)
CID 142240464
Ethane;4-methylmorpholine;1-methylpiperazine;1-methylpiperidine
CID 143205260
4-(4-Methylpiperazin-1-yl)morpholine;3-methylpiperidine;4-methylpiperidine
CID 143224692
4-Methylmorpholine;1-methylpiperazine;1-methylpiperidine
CID 143931600
4-Methylmorpholine;1-methylpiperazine;1-methylpiperidine;1-methylpyrrolidine
CID 144057730

Frequently Asked Questions

What is the IUPAC name of 1-methyl-4-(2-methylpropyl)piperazine;4-(2-methylpropyl)morpholine;1-(2-methylpropyl)piperazine;1-(2-methylpropyl)piperidine?
The IUPAC name of 1-methyl-4-(2-methylpropyl)piperazine;4-(2-methylpropyl)morpholine;1-(2-methylpropyl)piperazine;1-(2-methylpropyl)piperidine (CID 158464480) is 1-methyl-4-(2-methylpropyl)piperazine;4-(2-methylpropyl)morpholine;1-(2-methylpropyl)piperazine;1-(2-methylpropyl)piperidine.
What is the SMILES notation for 1-methyl-4-(2-methylpropyl)piperazine;4-(2-methylpropyl)morpholine;1-(2-methylpropyl)piperazine;1-(2-methylpropyl)piperidine?
The canonical SMILES for 1-methyl-4-(2-methylpropyl)piperazine;4-(2-methylpropyl)morpholine;1-(2-methylpropyl)piperazine;1-(2-methylpropyl)piperidine is CC(C)CN1CCCCC1.CC(C)CN1CCN(C)CC1.CC(C)CN1CCNCC1.CC(C)CN1CCOCC1.
What is the InChIKey of 1-methyl-4-(2-methylpropyl)piperazine;4-(2-methylpropyl)morpholine;1-(2-methylpropyl)piperazine;1-(2-methylpropyl)piperidine?
The InChIKey is HFOVDTDTAPNVRI-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H20N2.C9H19N.C8H18N2.C8H17NO/c1-9(2)8-11-6-4-10(3)5-7-11;1-9(2)8-10-6-4-3-5-7-10;1-8(2)7-10-5-3-9-4-6-10;1-8(2)7-9-3-5-10-6-4-9/h9H,4-8H2,1-3H3;9H,3-8H2,1-2H3;8-9H,3-7H2,1-2H3;8H,3-7H2,1-2H3.
What are the key properties of 1-methyl-4-(2-methylpropyl)piperazine;4-(2-methylpropyl)morpholine;1-(2-methylpropyl)piperazine;1-(2-methylpropyl)piperidine?
1-methyl-4-(2-methylpropyl)piperazine;4-(2-methylpropyl)morpholine;1-(2-methylpropyl)piperazine;1-(2-methylpropyl)piperidine has a molecular weight of 583.01 g/mol, XLogP of 4.54, 8 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-4-(2-methylpropyl)piperazine;4-(2-methylpropyl)morpholine;1-(2-methylpropyl)piperazine;1-(2-methylpropyl)piperidine is sourced from PubChem (CID 158464480), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).