4-ethylidene-1-methylpiperidine;1-(2-methanidyloxyethyl)-4-methylpiperazine;1-methylpiperidin-4-amine

C22H46N5O- — CID 158752826

IUPAC4-ethylidene-1-methylpiperidine;1-(2-methanidyloxyethyl)-4-methylpiperazine;1-methylpiperidin-4-amine
SMILESCC=C1CCN(C)CC1.CN1CCC(N)CC1.[CH2-]OCCN1CCN(C)CC1
InChIInChI=1S/C8H17N2O.C8H15N.C6H14N2/c1-9-3-5-10(6-4-9)7-8-11-2;1-3-8-4-6-9(2)7-5-8;1-8-4-2-6(7)3-5-8/h2-8H2,1H3;3H,4-7H2,1-2H3;6H,2-5,7H2,1H3/q-1;;
InChIKeyINRQWBWBXOMNPY-UHFFFAOYSA-N
MW396.64 g/mol
LogP1.74
Rot. Bonds3

About 4-ethylidene-1-methylpiperidine;1-(2-methanidyloxyethyl)-4-methylpiperazine;1-methylpiperidin-4-amine

4-ethylidene-1-methylpiperidine;1-(2-methanidyloxyethyl)-4-methylpiperazine;1-methylpiperidin-4-amine (PubChem CID 158752826) has the molecular formula C22H46N5O- and a molecular weight of 396.64 g/mol. Its IUPAC name is 4-ethylidene-1-methylpiperidine;1-(2-methanidyloxyethyl)-4-methylpiperazine;1-methylpiperidin-4-amine.

Molecular Properties

Compound Name4-ethylidene-1-methylpiperidine;1-(2-methanidyloxyethyl)-4-methylpiperazine;1-methylpiperidin-4-amine
PubChem CID158752826
Molecular FormulaC22H46N5O-
Molecular Weight396.64 g/mol
Exact Mass396.37
IUPAC Name4-ethylidene-1-methylpiperidine;1-(2-methanidyloxyethyl)-4-methylpiperazine;1-methylpiperidin-4-amine
SMILESCC=C1CCN(C)CC1.CN1CCC(N)CC1.[CH2-]OCCN1CCN(C)CC1
InChIInChI=1S/C8H17N2O.C8H15N.C6H14N2/c1-9-3-5-10(6-4-9)7-8-11-2;1-3-8-4-6-9(2)7-5-8;1-8-4-2-6(7)3-5-8/h2-8H2,1H3;3H,4-7H2,1-2H3;6H,2-5,7H2,1H3/q-1;;
InChIKeyINRQWBWBXOMNPY-UHFFFAOYSA-N
XLogP1.74
TPSA48.21 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500396.64
LogP ≤ 51.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

Analyze 4-ethylidene-1-methylpiperidine;1-(2-methanidyloxyethyl)-4-methylpiperazine;1-methylpiperidin-4-amine with MolForge

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Related Compounds

1-(2-Methoxyethyl)-4-methyl-2-[4-methyl-5-(4-methyl-1,2,3,6-tetrahydropyridin-3-yl)piperazin-2-yl]piperazine
CID 90736699
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
1-(2-Methoxyethyl)-4-methyl-2-[4-methyl-6-(4-methyl-1,2,3,6-tetrahydropyridin-2-yl)piperazin-2-yl]piperazine
CID 144022532
1,4-Dimethylpiperazine;1-(2-ethoxyethyl)-4-methylpiperazine;4-ethylidenepiperidine;methane
CID 159014195
Ethane;4-propan-2-ylmorpholine;1-propan-2-ylpiperazine;4-propan-2-ylpiperidine;4-propan-2-yl-1,2,3,6-tetrahydropyridine
CID 165059902

Frequently Asked Questions

What is the IUPAC name of 4-ethylidene-1-methylpiperidine;1-(2-methanidyloxyethyl)-4-methylpiperazine;1-methylpiperidin-4-amine?
The IUPAC name of 4-ethylidene-1-methylpiperidine;1-(2-methanidyloxyethyl)-4-methylpiperazine;1-methylpiperidin-4-amine (CID 158752826) is 4-ethylidene-1-methylpiperidine;1-(2-methanidyloxyethyl)-4-methylpiperazine;1-methylpiperidin-4-amine.
What is the SMILES notation for 4-ethylidene-1-methylpiperidine;1-(2-methanidyloxyethyl)-4-methylpiperazine;1-methylpiperidin-4-amine?
The canonical SMILES for 4-ethylidene-1-methylpiperidine;1-(2-methanidyloxyethyl)-4-methylpiperazine;1-methylpiperidin-4-amine is CC=C1CCN(C)CC1.CN1CCC(N)CC1.[CH2-]OCCN1CCN(C)CC1.
What is the InChIKey of 4-ethylidene-1-methylpiperidine;1-(2-methanidyloxyethyl)-4-methylpiperazine;1-methylpiperidin-4-amine?
The InChIKey is INRQWBWBXOMNPY-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H17N2O.C8H15N.C6H14N2/c1-9-3-5-10(6-4-9)7-8-11-2;1-3-8-4-6-9(2)7-5-8;1-8-4-2-6(7)3-5-8/h2-8H2,1H3;3H,4-7H2,1-2H3;6H,2-5,7H2,1H3/q-1;;.
What are the key properties of 4-ethylidene-1-methylpiperidine;1-(2-methanidyloxyethyl)-4-methylpiperazine;1-methylpiperidin-4-amine?
4-ethylidene-1-methylpiperidine;1-(2-methanidyloxyethyl)-4-methylpiperazine;1-methylpiperidin-4-amine has a molecular weight of 396.64 g/mol, XLogP of 1.74, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-ethylidene-1-methylpiperidine;1-(2-methanidyloxyethyl)-4-methylpiperazine;1-methylpiperidin-4-amine is sourced from PubChem (CID 158752826), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).