ethane;N-methylmethanamine;1-methyl-4-(1-prop-2-enylpiperidin-4-yl)piperazine

C17H38N4 — CID 142390708

IUPACethane;N-methylmethanamine;1-methyl-4-(1-prop-2-enylpiperidin-4-yl)piperazine
SMILESC=CCN1CCC(N2CCN(C)CC2)CC1.CC.CNC
InChIInChI=1S/C13H25N3.C2H7N.C2H6/c1-3-6-15-7-4-13(5-8-15)16-11-9-14(2)10-12-16;1-3-2;1-2/h3,13H,1,4-12H2,2H3;3H,1-2H3;1-2H3
InChIKeyDFYIEYIFXKHUIA-UHFFFAOYSA-N
MW298.52 g/mol
LogP1.75
Rot. Bonds3

About ethane;N-methylmethanamine;1-methyl-4-(1-prop-2-enylpiperidin-4-yl)piperazine

ethane;N-methylmethanamine;1-methyl-4-(1-prop-2-enylpiperidin-4-yl)piperazine (PubChem CID 142390708) has the molecular formula C17H38N4 and a molecular weight of 298.52 g/mol. Its IUPAC name is ethane;N-methylmethanamine;1-methyl-4-(1-prop-2-enylpiperidin-4-yl)piperazine.

Molecular Properties

Compound Nameethane;N-methylmethanamine;1-methyl-4-(1-prop-2-enylpiperidin-4-yl)piperazine
PubChem CID142390708
Molecular FormulaC17H38N4
Molecular Weight298.52 g/mol
Exact Mass298.31
IUPAC Nameethane;N-methylmethanamine;1-methyl-4-(1-prop-2-enylpiperidin-4-yl)piperazine
SMILESC=CCN1CCC(N2CCN(C)CC2)CC1.CC.CNC
InChIInChI=1S/C13H25N3.C2H7N.C2H6/c1-3-6-15-7-4-13(5-8-15)16-11-9-14(2)10-12-16;1-3-2;1-2/h3,13H,1,4-12H2,2H3;3H,1-2H3;1-2H3
InChIKeyDFYIEYIFXKHUIA-UHFFFAOYSA-N
XLogP1.75
TPSA21.75 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.52
LogP ≤ 51.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of ethane;N-methylmethanamine;1-methyl-4-(1-prop-2-enylpiperidin-4-yl)piperazine?
The IUPAC name of ethane;N-methylmethanamine;1-methyl-4-(1-prop-2-enylpiperidin-4-yl)piperazine (CID 142390708) is ethane;N-methylmethanamine;1-methyl-4-(1-prop-2-enylpiperidin-4-yl)piperazine.
What is the SMILES notation for ethane;N-methylmethanamine;1-methyl-4-(1-prop-2-enylpiperidin-4-yl)piperazine?
The canonical SMILES for ethane;N-methylmethanamine;1-methyl-4-(1-prop-2-enylpiperidin-4-yl)piperazine is C=CCN1CCC(N2CCN(C)CC2)CC1.CC.CNC.
What is the InChIKey of ethane;N-methylmethanamine;1-methyl-4-(1-prop-2-enylpiperidin-4-yl)piperazine?
The InChIKey is DFYIEYIFXKHUIA-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H25N3.C2H7N.C2H6/c1-3-6-15-7-4-13(5-8-15)16-11-9-14(2)10-12-16;1-3-2;1-2/h3,13H,1,4-12H2,2H3;3H,1-2H3;1-2H3.
What are the key properties of ethane;N-methylmethanamine;1-methyl-4-(1-prop-2-enylpiperidin-4-yl)piperazine?
ethane;N-methylmethanamine;1-methyl-4-(1-prop-2-enylpiperidin-4-yl)piperazine has a molecular weight of 298.52 g/mol, XLogP of 1.75, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;N-methylmethanamine;1-methyl-4-(1-prop-2-enylpiperidin-4-yl)piperazine is sourced from PubChem (CID 142390708), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).