1,4-diethylpiperazine;1,4-dimethylpiperazine;4-ethylmorpholine;1-ethylpiperidine;4-methylmorpholine;1-methylpiperidine;4-propylmorpholine;1-propylpiperidine

C53H116N10O3 — CID 157227558

IUPAC1,4-diethylpiperazine;1,4-dimethylpiperazine;4-ethylmorpholine;1-ethylpiperidine;4-methylmorpholine;1-methylpiperidine;4-propylmorpholine;1-propylpiperidine
SMILESCCCN1CCCCC1.CCCN1CCOCC1.CCN1CCCCC1.CCN1CCN(CC)CC1.CCN1CCOCC1.CN1CCCCC1.CN1CCN(C)CC1.CN1CCOCC1
InChIInChI=1S/C8H18N2.C8H17N.C7H15NO.C7H15N.C6H14N2.C6H13NO.C6H13N.C5H11NO/c1-3-9-5-7-10(4-2)8-6-9;1-2-6-9-7-4-3-5-8-9;1-2-3-8-4-6-9-7-5-8;1-2-8-6-4-3-5-7-8;1-7-3-5-8(2)6-4-7;1-2-7-3-5-8-6-4-7;1-7-5-3-2-4-6-7;1-6-2-4-7-5-3-6/h3-8H2,1-2H3;2-8H2,1H3;2-7H2,1H3;2-7H2,1H3;3-6H2,1-2H3;2-6H2,1H3;2-6H2,1H3;2-5H2,1H3
InChIKeyATSDULCIQPKFES-UHFFFAOYSA-N
MW941.58 g/mol
LogP6.00
Rot. Bonds8

About 1,4-diethylpiperazine;1,4-dimethylpiperazine;4-ethylmorpholine;1-ethylpiperidine;4-methylmorpholine;1-methylpiperidine;4-propylmorpholine;1-propylpiperidine

1,4-diethylpiperazine;1,4-dimethylpiperazine;4-ethylmorpholine;1-ethylpiperidine;4-methylmorpholine;1-methylpiperidine;4-propylmorpholine;1-propylpiperidine (PubChem CID 157227558) has the molecular formula C53H116N10O3 and a molecular weight of 941.58 g/mol. Its IUPAC name is 1,4-diethylpiperazine;1,4-dimethylpiperazine;4-ethylmorpholine;1-ethylpiperidine;4-methylmorpholine;1-methylpiperidine;4-propylmorpholine;1-propylpiperidine.

Molecular Properties

Compound Name1,4-diethylpiperazine;1,4-dimethylpiperazine;4-ethylmorpholine;1-ethylpiperidine;4-methylmorpholine;1-methylpiperidine;4-propylmorpholine;1-propylpiperidine
PubChem CID157227558
Molecular FormulaC53H116N10O3
Molecular Weight941.58 g/mol
Exact Mass940.92
IUPAC Name1,4-diethylpiperazine;1,4-dimethylpiperazine;4-ethylmorpholine;1-ethylpiperidine;4-methylmorpholine;1-methylpiperidine;4-propylmorpholine;1-propylpiperidine
SMILESCCCN1CCCCC1.CCCN1CCOCC1.CCN1CCCCC1.CCN1CCN(CC)CC1.CCN1CCOCC1.CN1CCCCC1.CN1CCN(C)CC1.CN1CCOCC1
InChIInChI=1S/C8H18N2.C8H17N.C7H15NO.C7H15N.C6H14N2.C6H13NO.C6H13N.C5H11NO/c1-3-9-5-7-10(4-2)8-6-9;1-2-6-9-7-4-3-5-8-9;1-2-3-8-4-6-9-7-5-8;1-2-8-6-4-3-5-7-8;1-7-3-5-8(2)6-4-7;1-2-7-3-5-8-6-4-7;1-7-5-3-2-4-6-7;1-6-2-4-7-5-3-6/h3-8H2,1-2H3;2-8H2,1H3;2-7H2,1H3;2-7H2,1H3;3-6H2,1-2H3;2-6H2,1H3;2-6H2,1H3;2-5H2,1H3
InChIKeyATSDULCIQPKFES-UHFFFAOYSA-N
XLogP6.00
TPSA60.09 Ų
H-Bond Donors
H-Bond Acceptors13
Rotatable Bonds8
Heavy Atoms66
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 500941.58
LogP ≤ 56.00
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1013

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Launch Full Analysis

Related Compounds

4,4-Difluoro-1-propan-2-ylpiperidine;methane;1-methyl-4-propan-2-ylpiperazine;4-propan-2-ylmorpholine;bis(1-propan-2-ylpiperidine)
CID 157749649
4,4-Difluoro-1-propan-2-ylpiperidine;1-methyl-4-propan-2-ylpiperazine;4-propan-2-ylmorpholine;bis(1-propan-2-ylpiperidine)
CID 161332701
2,2,4,4,5,5,5-heptafluoro-N-methyl-N-(2-morpholin-4-ylethyl)pentan-1-amine;2,2,4,4,5,5,7,7,7-nonafluoro-N-methyl-N-(2-morpholin-4-ylethyl)heptan-1-amine;2,2,4,4,5,5,6,6,6-nonafluoro-N-methyl-N-(2-morpholin-4-ylethyl)hexan-1-amine;2,2,4,4,5,5,8,8,8-nonafluoro-N-methyl-N-(2-morpholin-4-ylethyl)octan-1-amine;2,2,4,4,4-pentafluoro-N-methyl-N-(2-morpholin-4-ylethyl)butan-1-amine;2,2,3,3,3-pentafluoro-N-methyl-N-(2-morpholin-4-ylethyl)propan-1-amine;2,2,2-trifluoro-N-methyl-N-(2-morpholin-4-ylethyl)ethanamine;2,2,4,4,5,5,8,8,10,10,10-undecafluoro-N-methyl-N-(2-morpholin-4-ylethyl)decan-1-amine;2,2,4,4,5,5,8,8,9,9,9-undecafluoro-N-methyl-N-(2-morpholin-4-ylethyl)nonan-1-amine
CID 161767417
N-[2-[bis[3-[bis(2-morpholin-4-ylethyl)amino]propyl]amino]ethyl]-N-[3-[bis(2-morpholin-4-ylethyl)amino]propyl]-N',N'-bis(2-morpholin-4-ylethyl)propane-1,3-diamine
CID 58592019
Ethane;bis(1-ethyl-4-[2-(1-methylpiperidin-4-yl)oxyethyl]piperazine)
CID 156885060
Ethane;bis(1-[2-(1-methylpiperidin-4-yl)oxyethyl]-4-propylpiperazine)
CID 156885165
Ethane;bis(1-[2-(1-ethylpiperidin-4-yl)oxyethyl]-4-methylpiperazine)
CID 156885188
Bis(1,4-dimethylpiperazine);2-(1,4-dimethylpiperazin-1-ium-1-yl)ethanol;methane;1-methylpiperidine;propane;bis(1,1,4-trimethylpiperazin-1-ium)
CID 157181985
1,4-Di(propan-2-yl)piperazine;1-ethyl-4-propan-2-ylpiperazine;1-methyl-4-propan-2-ylpiperazine;1-propan-2-yl-4-(2-propan-2-yloxyethyl)piperazine;1-propan-2-yl-4-propylpiperazine
CID 157286376
2-methoxy-N,N-dimethylethanamine;1-(2-methoxyethyl)-4-methylpiperazine;bis(1-(2-methoxyethyl)piperidine);1-(3-methoxypropyl)piperidine
CID 157327483
4-(3,3-Dimethylbutyl)morpholine;4-(4,4-dimethylpentyl)morpholine;1-(2,2-dimethylpropyl)-4-methylpiperazine;4-(2,2-dimethylpropyl)morpholine
CID 157451158
1-(2-Methoxyethyl)-4-propan-2-ylpiperidine;1-methyl-4-(2-methylpropyl)piperazine;1-methyl-4-propan-2-ylpiperazine;1-methyl-4-propan-2-ylpiperidine;4-(2-methylpropyl)morpholine
CID 157596719

Frequently Asked Questions

What is the IUPAC name of 1,4-diethylpiperazine;1,4-dimethylpiperazine;4-ethylmorpholine;1-ethylpiperidine;4-methylmorpholine;1-methylpiperidine;4-propylmorpholine;1-propylpiperidine?
The IUPAC name of 1,4-diethylpiperazine;1,4-dimethylpiperazine;4-ethylmorpholine;1-ethylpiperidine;4-methylmorpholine;1-methylpiperidine;4-propylmorpholine;1-propylpiperidine (CID 157227558) is 1,4-diethylpiperazine;1,4-dimethylpiperazine;4-ethylmorpholine;1-ethylpiperidine;4-methylmorpholine;1-methylpiperidine;4-propylmorpholine;1-propylpiperidine.
What is the SMILES notation for 1,4-diethylpiperazine;1,4-dimethylpiperazine;4-ethylmorpholine;1-ethylpiperidine;4-methylmorpholine;1-methylpiperidine;4-propylmorpholine;1-propylpiperidine?
The canonical SMILES for 1,4-diethylpiperazine;1,4-dimethylpiperazine;4-ethylmorpholine;1-ethylpiperidine;4-methylmorpholine;1-methylpiperidine;4-propylmorpholine;1-propylpiperidine is CCCN1CCCCC1.CCCN1CCOCC1.CCN1CCCCC1.CCN1CCN(CC)CC1.CCN1CCOCC1.CN1CCCCC1.CN1CCN(C)CC1.CN1CCOCC1.
What is the InChIKey of 1,4-diethylpiperazine;1,4-dimethylpiperazine;4-ethylmorpholine;1-ethylpiperidine;4-methylmorpholine;1-methylpiperidine;4-propylmorpholine;1-propylpiperidine?
The InChIKey is ATSDULCIQPKFES-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H18N2.C8H17N.C7H15NO.C7H15N.C6H14N2.C6H13NO.C6H13N.C5H11NO/c1-3-9-5-7-10(4-2)8-6-9;1-2-6-9-7-4-3-5-8-9;1-2-3-8-4-6-9-7-5-8;1-2-8-6-4-3-5-7-8;1-7-3-5-8(2)6-4-7;1-2-7-3-5-8-6-4-7;1-7-5-3-2-4-6-7;1-6-2-4-7-5-3-6/h3-8H2,1-2H3;2-8H2,1H3;2-7H2,1H3;2-7H2,1H3;3-6H2,1-2H3;2-6H2,1H3;2-6H2,1H3;2-5H2,1H3.
What are the key properties of 1,4-diethylpiperazine;1,4-dimethylpiperazine;4-ethylmorpholine;1-ethylpiperidine;4-methylmorpholine;1-methylpiperidine;4-propylmorpholine;1-propylpiperidine?
1,4-diethylpiperazine;1,4-dimethylpiperazine;4-ethylmorpholine;1-ethylpiperidine;4-methylmorpholine;1-methylpiperidine;4-propylmorpholine;1-propylpiperidine has a molecular weight of 941.58 g/mol, XLogP of 6.00, 8 rotatable bonds, 0 hydrogen bond donors, and 13 hydrogen bond acceptors.
Where does this data come from?
All data for 1,4-diethylpiperazine;1,4-dimethylpiperazine;4-ethylmorpholine;1-ethylpiperidine;4-methylmorpholine;1-methylpiperidine;4-propylmorpholine;1-propylpiperidine is sourced from PubChem (CID 157227558), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).