1,4-dimethylpiperazine;1-(2-ethoxyethyl)-4-methylpiperazine;4-ethylidenepiperidine;methane

C24H55N5O — CID 159014195

IUPAC1,4-dimethylpiperazine;1-(2-ethoxyethyl)-4-methylpiperazine;4-ethylidenepiperidine;methane
SMILESC.C.CC=C1CCNCC1.CCOCCN1CCN(C)CC1.CN1CCN(C)CC1
InChIInChI=1S/C9H20N2O.C7H13N.C6H14N2.2CH4/c1-3-12-9-8-11-6-4-10(2)5-7-11;1-2-7-3-5-8-6-4-7;1-7-3-5-8(2)6-4-7;;/h3-9H2,1-2H3;2,8H,3-6H2,1H3;3-6H2,1-2H3;2*1H4
InChIKeyJSWLPYRWBWKEKR-UHFFFAOYSA-N
MW429.74 g/mol
LogP2.72
Rot. Bonds4

About 1,4-dimethylpiperazine;1-(2-ethoxyethyl)-4-methylpiperazine;4-ethylidenepiperidine;methane

1,4-dimethylpiperazine;1-(2-ethoxyethyl)-4-methylpiperazine;4-ethylidenepiperidine;methane (PubChem CID 159014195) has the molecular formula C24H55N5O and a molecular weight of 429.74 g/mol. Its IUPAC name is 1,4-dimethylpiperazine;1-(2-ethoxyethyl)-4-methylpiperazine;4-ethylidenepiperidine;methane.

Molecular Properties

Compound Name1,4-dimethylpiperazine;1-(2-ethoxyethyl)-4-methylpiperazine;4-ethylidenepiperidine;methane
PubChem CID159014195
Molecular FormulaC24H55N5O
Molecular Weight429.74 g/mol
Exact Mass429.44
IUPAC Name1,4-dimethylpiperazine;1-(2-ethoxyethyl)-4-methylpiperazine;4-ethylidenepiperidine;methane
SMILESC.C.CC=C1CCNCC1.CCOCCN1CCN(C)CC1.CN1CCN(C)CC1
InChIInChI=1S/C9H20N2O.C7H13N.C6H14N2.2CH4/c1-3-12-9-8-11-6-4-10(2)5-7-11;1-2-7-3-5-8-6-4-7;1-7-3-5-8(2)6-4-7;;/h3-9H2,1-2H3;2,8H,3-6H2,1H3;3-6H2,1-2H3;2*1H4
InChIKeyJSWLPYRWBWKEKR-UHFFFAOYSA-N
XLogP2.72
TPSA34.22 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500429.74
LogP ≤ 52.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

4-[(E)-2-methyl-3-(2-piperazin-1-ylethyl)pent-3-en-2-yl]morpholine
CID 70025727
4-[2-Methyl-3-(2-piperazin-1-ylethyl)pent-3-en-2-yl]morpholine
CID 70025732
1-(2-Methoxyethyl)-4-methyl-2-[4-methyl-5-(4-methyl-1,2,3,6-tetrahydropyridin-3-yl)piperazin-2-yl]piperazine
CID 90736699
4-(2-Piperidin-4-ylideneethyl)morpholine
CID 115020790
N'-[1-cyclohexa-1,5-dien-1-yl-2-[4-(4-methylpiperazin-1-yl)piperidin-1-yl]ethyl]-N-(2-methoxyethyl)ethane-1,2-diamine
CID 123774978
(Z)-4-methyl-6-morpholin-4-yl-N-(2-morpholin-4-ylethyl)hex-4-en-1-amine
CID 134419180
1-(2-Methoxyethyl)-4-methyl-2-[4-methyl-6-(4-methyl-1,2,3,6-tetrahydropyridin-2-yl)piperazin-2-yl]piperazine
CID 144022532
4-Ethylidene-1-methylpiperidine;1-(2-methanidyloxyethyl)-4-methylpiperazine;1-methylpiperidin-4-amine
CID 158752826
Ethane;4-propan-2-ylmorpholine;1-propan-2-ylpiperazine;4-propan-2-ylpiperidine;4-propan-2-yl-1,2,3,6-tetrahydropyridine
CID 165059902
Ethane;molecular hydrogen;morpholine;piperidine;1,2,3,6-tetrahydropyridine
CID 176665440

Frequently Asked Questions

What is the IUPAC name of 1,4-dimethylpiperazine;1-(2-ethoxyethyl)-4-methylpiperazine;4-ethylidenepiperidine;methane?
The IUPAC name of 1,4-dimethylpiperazine;1-(2-ethoxyethyl)-4-methylpiperazine;4-ethylidenepiperidine;methane (CID 159014195) is 1,4-dimethylpiperazine;1-(2-ethoxyethyl)-4-methylpiperazine;4-ethylidenepiperidine;methane.
What is the SMILES notation for 1,4-dimethylpiperazine;1-(2-ethoxyethyl)-4-methylpiperazine;4-ethylidenepiperidine;methane?
The canonical SMILES for 1,4-dimethylpiperazine;1-(2-ethoxyethyl)-4-methylpiperazine;4-ethylidenepiperidine;methane is C.C.CC=C1CCNCC1.CCOCCN1CCN(C)CC1.CN1CCN(C)CC1.
What is the InChIKey of 1,4-dimethylpiperazine;1-(2-ethoxyethyl)-4-methylpiperazine;4-ethylidenepiperidine;methane?
The InChIKey is JSWLPYRWBWKEKR-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H20N2O.C7H13N.C6H14N2.2CH4/c1-3-12-9-8-11-6-4-10(2)5-7-11;1-2-7-3-5-8-6-4-7;1-7-3-5-8(2)6-4-7;;/h3-9H2,1-2H3;2,8H,3-6H2,1H3;3-6H2,1-2H3;2*1H4.
What are the key properties of 1,4-dimethylpiperazine;1-(2-ethoxyethyl)-4-methylpiperazine;4-ethylidenepiperidine;methane?
1,4-dimethylpiperazine;1-(2-ethoxyethyl)-4-methylpiperazine;4-ethylidenepiperidine;methane has a molecular weight of 429.74 g/mol, XLogP of 2.72, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1,4-dimethylpiperazine;1-(2-ethoxyethyl)-4-methylpiperazine;4-ethylidenepiperidine;methane is sourced from PubChem (CID 159014195), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).