N-[[2-(4-ethylpiperazin-1-yl)phenyl]methyl]-2-(1-methylpiperidin-4-yl)ethanamine

C21H36N4 — CID 138999266

IUPACN-[[2-(4-ethylpiperazin-1-yl)phenyl]methyl]-2-(1-methylpiperidin-4-yl)ethanamine
SMILESCCN1CCN(c2ccccc2CNCCC2CCN(C)CC2)CC1
InChIInChI=1S/C21H36N4/c1-3-24-14-16-25(17-15-24)21-7-5-4-6-20(21)18-22-11-8-19-9-12-23(2)13-10-19/h4-7,19,22H,3,8-18H2,1-2H3
InChIKeyCDTZFVGCWGYKGU-UHFFFAOYSA-N
MW344.55 g/mol
LogP2.65
Rot. Bonds7

About N-[[2-(4-ethylpiperazin-1-yl)phenyl]methyl]-2-(1-methylpiperidin-4-yl)ethanamine

N-[[2-(4-ethylpiperazin-1-yl)phenyl]methyl]-2-(1-methylpiperidin-4-yl)ethanamine (PubChem CID 138999266) has the molecular formula C21H36N4 and a molecular weight of 344.55 g/mol. Its IUPAC name is N-[[2-(4-ethylpiperazin-1-yl)phenyl]methyl]-2-(1-methylpiperidin-4-yl)ethanamine.

Molecular Properties

Compound NameN-[[2-(4-ethylpiperazin-1-yl)phenyl]methyl]-2-(1-methylpiperidin-4-yl)ethanamine
PubChem CID138999266
Molecular FormulaC21H36N4
Molecular Weight344.55 g/mol
Exact Mass344.29
IUPAC NameN-[[2-(4-ethylpiperazin-1-yl)phenyl]methyl]-2-(1-methylpiperidin-4-yl)ethanamine
SMILESCCN1CCN(c2ccccc2CNCCC2CCN(C)CC2)CC1
InChIInChI=1S/C21H36N4/c1-3-24-14-16-25(17-15-24)21-7-5-4-6-20(21)18-22-11-8-19-9-12-23(2)13-10-19/h4-7,19,22H,3,8-18H2,1-2H3
InChIKeyCDTZFVGCWGYKGU-UHFFFAOYSA-N
XLogP2.65
TPSA21.75 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.55
LogP ≤ 52.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-[[2-(4-ethylpiperazin-1-yl)phenyl]methyl]-2-(1-methylpiperidin-4-yl)ethanamine?
The IUPAC name of N-[[2-(4-ethylpiperazin-1-yl)phenyl]methyl]-2-(1-methylpiperidin-4-yl)ethanamine (CID 138999266) is N-[[2-(4-ethylpiperazin-1-yl)phenyl]methyl]-2-(1-methylpiperidin-4-yl)ethanamine.
What is the SMILES notation for N-[[2-(4-ethylpiperazin-1-yl)phenyl]methyl]-2-(1-methylpiperidin-4-yl)ethanamine?
The canonical SMILES for N-[[2-(4-ethylpiperazin-1-yl)phenyl]methyl]-2-(1-methylpiperidin-4-yl)ethanamine is CCN1CCN(c2ccccc2CNCCC2CCN(C)CC2)CC1.
What is the InChIKey of N-[[2-(4-ethylpiperazin-1-yl)phenyl]methyl]-2-(1-methylpiperidin-4-yl)ethanamine?
The InChIKey is CDTZFVGCWGYKGU-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H36N4/c1-3-24-14-16-25(17-15-24)21-7-5-4-6-20(21)18-22-11-8-19-9-12-23(2)13-10-19/h4-7,19,22H,3,8-18H2,1-2H3.
What are the key properties of N-[[2-(4-ethylpiperazin-1-yl)phenyl]methyl]-2-(1-methylpiperidin-4-yl)ethanamine?
N-[[2-(4-ethylpiperazin-1-yl)phenyl]methyl]-2-(1-methylpiperidin-4-yl)ethanamine has a molecular weight of 344.55 g/mol, XLogP of 2.65, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[2-(4-ethylpiperazin-1-yl)phenyl]methyl]-2-(1-methylpiperidin-4-yl)ethanamine is sourced from PubChem (CID 138999266), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).