1,4-dimethylpiperazine;1-methylpiperazine;1-methylpiperidine;1-methyl-4-propan-2-ylpiperazine;2,4,6-trimethylmorpholine

C32H72N8O — CID 158588420

IUPAC1,4-dimethylpiperazine;1-methylpiperazine;1-methylpiperidine;1-methyl-4-propan-2-ylpiperazine;2,4,6-trimethylmorpholine
SMILESCC(C)N1CCN(C)CC1.CC1CN(C)CC(C)O1.CN1CCCCC1.CN1CCN(C)CC1.CN1CCNCC1
InChIInChI=1S/C8H18N2.C7H15NO.C6H14N2.C6H13N.C5H12N2/c1-8(2)10-6-4-9(3)5-7-10;1-6-4-8(3)5-7(2)9-6;1-7-3-5-8(2)6-4-7;1-7-5-3-2-4-6-7;1-7-4-2-6-3-5-7/h8H,4-7H2,1-3H3;6-7H,4-5H2,1-3H3;3-6H2,1-2H3;2-6H2,1H3;6H,2-5H2,1H3
InChIKeyHUCXSIQBOBGIMZ-UHFFFAOYSA-N
MW584.98 g/mol
LogP1.85
Rot. Bonds1

About 1,4-dimethylpiperazine;1-methylpiperazine;1-methylpiperidine;1-methyl-4-propan-2-ylpiperazine;2,4,6-trimethylmorpholine

1,4-dimethylpiperazine;1-methylpiperazine;1-methylpiperidine;1-methyl-4-propan-2-ylpiperazine;2,4,6-trimethylmorpholine (PubChem CID 158588420) has the molecular formula C32H72N8O and a molecular weight of 584.98 g/mol. Its IUPAC name is 1,4-dimethylpiperazine;1-methylpiperazine;1-methylpiperidine;1-methyl-4-propan-2-ylpiperazine;2,4,6-trimethylmorpholine.

Molecular Properties

Compound Name1,4-dimethylpiperazine;1-methylpiperazine;1-methylpiperidine;1-methyl-4-propan-2-ylpiperazine;2,4,6-trimethylmorpholine
PubChem CID158588420
Molecular FormulaC32H72N8O
Molecular Weight584.98 g/mol
Exact Mass584.58
IUPAC Name1,4-dimethylpiperazine;1-methylpiperazine;1-methylpiperidine;1-methyl-4-propan-2-ylpiperazine;2,4,6-trimethylmorpholine
SMILESCC(C)N1CCN(C)CC1.CC1CN(C)CC(C)O1.CN1CCCCC1.CN1CCN(C)CC1.CN1CCNCC1
InChIInChI=1S/C8H18N2.C7H15NO.C6H14N2.C6H13N.C5H12N2/c1-8(2)10-6-4-9(3)5-7-10;1-6-4-8(3)5-7(2)9-6;1-7-3-5-8(2)6-4-7;1-7-5-3-2-4-6-7;1-7-4-2-6-3-5-7/h8H,4-7H2,1-3H3;6-7H,4-5H2,1-3H3;3-6H2,1-2H3;2-6H2,1H3;6H,2-5H2,1H3
InChIKeyHUCXSIQBOBGIMZ-UHFFFAOYSA-N
XLogP1.85
TPSA43.94 Ų
H-Bond Donors1
H-Bond Acceptors9
Rotatable Bonds1
Heavy Atoms41
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500584.98
LogP ≤ 51.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 109

Analyze 1,4-dimethylpiperazine;1-methylpiperazine;1-methylpiperidine;1-methyl-4-propan-2-ylpiperazine;2,4,6-trimethylmorpholine with MolForge

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Launch Full Analysis

Related Compounds

4-[6-(4-Butan-2-ylpiperazin-1-yl)-4-butyl-5-(4-ethylpiperazin-1-yl)-5-(4-methylpiperazin-1-yl)-3-piperidin-1-yl-6-(4-propan-2-ylpiperazin-1-yl)-3-pyrrolidin-1-ylpiperazin-2-yl]morpholine
CID 54563479
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
1-[(2S,3R,4R,5S,6S)-2-(4-methoxypiperidin-1-yl)-4-(4-methylpiperazin-1-yl)-6-morpholin-4-yl-5-piperazin-1-ylheptan-3-yl]piperidin-4-ol
CID 130178637
(2R,6S)-2-methyl-6-[[4-(1-methylpiperidin-4-yl)piperazin-1-yl]methyl]morpholine
CID 141468104
(2R,6S)-2-methyl-6-[[4-(4-methylpiperazin-1-yl)piperidin-1-yl]methyl]morpholine
CID 141468154
4-(piperidin-2-ylmethyl)morpholine;4-[[(2S)-piperidin-2-yl]methyl]morpholine;1-[[(2S)-piperidin-2-yl]methyl]piperidine
CID 144101630
N,3-dimethyl-4-piperazin-1-ylbutan-1-amine;1-ethyl-4-[2-(1-propan-2-ylpiperidin-4-yl)oxyethyl]piperazine;1-pentyl-4-propan-2-ylpiperazine;1-[2-(1-propan-2-ylpiperidin-4-yl)ethyl]piperazine;yttrium
CID 155702607
Ethane;1-ethyl-4-[2-(1-propylpiperidin-4-yl)oxyethyl]piperazine;1-[2-(1-propylpiperidin-4-yl)oxyethyl]piperazine
CID 156885090
Ethane;1-[2-(1-ethylpiperidin-4-yl)oxyethyl]-4-methylpiperazine;1-[2-(1-ethylpiperidin-4-yl)oxyethyl]piperazine
CID 156885685
methane;3-methylbutan-1-amine;4-(3-methylbutyl)morpholine;bis(1-(3-methylbutyl)piperazine);N-(3-methylbutyl)piperidin-4-amine;1-(3-methylbutyl)piperidine;1-(3-methylbutyl)pyrrolidine;1-methyl-4-(3-methylbutyl)piperazine
CID 157192131
2,3-dimethylbutan-1-amine;N,3-dimethylbutan-1-amine;N,3-dimethylbutan-2-amine;2,3-dimethylbutane;3-methylbutan-1-amine;4-(3-methylbutyl)morpholine;1-(3-methylbutyl)piperidine;1-(3-methylbutyl)-4-propan-2-ylpiperazine;1-methyl-4-(3-methylbutyl)piperazine;1-methyl-4-(2-methylpropyl)piperazine;bis(1-(2-methylpropyl)piperidine);1-(2-methylpropyl)-4-propan-2-ylpiperazine;N,N,2,2,3-pentamethylbutan-1-amine;N,N,2,3-tetramethylbutan-1-amine;N,N,2,3-tetramethylbutan-2-amine;2,2,3-trimethylbutan-1-amine;N,2,3-trimethylbutan-2-amine;N,N,3-trimethylbutan-1-amine;N,N,3-trimethylbutan-2-amine;2,2,3-trimethylbutane
CID 157205695
1,4-Diethylpiperazine;1,4-dimethylpiperazine;4-ethylmorpholine;1-ethylpiperidine;4-methylmorpholine;1-methylpiperidine;4-propylmorpholine;1-propylpiperidine
CID 157227558

Frequently Asked Questions

What is the IUPAC name of 1,4-dimethylpiperazine;1-methylpiperazine;1-methylpiperidine;1-methyl-4-propan-2-ylpiperazine;2,4,6-trimethylmorpholine?
The IUPAC name of 1,4-dimethylpiperazine;1-methylpiperazine;1-methylpiperidine;1-methyl-4-propan-2-ylpiperazine;2,4,6-trimethylmorpholine (CID 158588420) is 1,4-dimethylpiperazine;1-methylpiperazine;1-methylpiperidine;1-methyl-4-propan-2-ylpiperazine;2,4,6-trimethylmorpholine.
What is the SMILES notation for 1,4-dimethylpiperazine;1-methylpiperazine;1-methylpiperidine;1-methyl-4-propan-2-ylpiperazine;2,4,6-trimethylmorpholine?
The canonical SMILES for 1,4-dimethylpiperazine;1-methylpiperazine;1-methylpiperidine;1-methyl-4-propan-2-ylpiperazine;2,4,6-trimethylmorpholine is CC(C)N1CCN(C)CC1.CC1CN(C)CC(C)O1.CN1CCCCC1.CN1CCN(C)CC1.CN1CCNCC1.
What is the InChIKey of 1,4-dimethylpiperazine;1-methylpiperazine;1-methylpiperidine;1-methyl-4-propan-2-ylpiperazine;2,4,6-trimethylmorpholine?
The InChIKey is HUCXSIQBOBGIMZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H18N2.C7H15NO.C6H14N2.C6H13N.C5H12N2/c1-8(2)10-6-4-9(3)5-7-10;1-6-4-8(3)5-7(2)9-6;1-7-3-5-8(2)6-4-7;1-7-5-3-2-4-6-7;1-7-4-2-6-3-5-7/h8H,4-7H2,1-3H3;6-7H,4-5H2,1-3H3;3-6H2,1-2H3;2-6H2,1H3;6H,2-5H2,1H3.
What are the key properties of 1,4-dimethylpiperazine;1-methylpiperazine;1-methylpiperidine;1-methyl-4-propan-2-ylpiperazine;2,4,6-trimethylmorpholine?
1,4-dimethylpiperazine;1-methylpiperazine;1-methylpiperidine;1-methyl-4-propan-2-ylpiperazine;2,4,6-trimethylmorpholine has a molecular weight of 584.98 g/mol, XLogP of 1.85, 1 rotatable bonds, 1 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 1,4-dimethylpiperazine;1-methylpiperazine;1-methylpiperidine;1-methyl-4-propan-2-ylpiperazine;2,4,6-trimethylmorpholine is sourced from PubChem (CID 158588420), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).