1-[4-(4-cyclopropylpiperazin-1-yl)-2-methylphenyl]-N-methylmethanamine

C16H25N3 — CID 62136233

IUPAC1-[4-(4-cyclopropylpiperazin-1-yl)-2-methylphenyl]-N-methylmethanamine
SMILESCNCc1ccc(N2CCN(C3CC3)CC2)cc1C
InChIInChI=1S/C16H25N3/c1-13-11-16(4-3-14(13)12-17-2)19-9-7-18(8-10-19)15-5-6-15/h3-4,11,15,17H,5-10,12H2,1-2H3
InChIKeyFKQMFOZLUMYHTR-UHFFFAOYSA-N
MW259.40 g/mol
LogP2.00
Rot. Bonds4

About 1-[4-(4-cyclopropylpiperazin-1-yl)-2-methylphenyl]-N-methylmethanamine

1-[4-(4-cyclopropylpiperazin-1-yl)-2-methylphenyl]-N-methylmethanamine (PubChem CID 62136233) has the molecular formula C16H25N3 and a molecular weight of 259.40 g/mol. Its IUPAC name is 1-[4-(4-cyclopropylpiperazin-1-yl)-2-methylphenyl]-N-methylmethanamine.

Molecular Properties

Compound Name1-[4-(4-cyclopropylpiperazin-1-yl)-2-methylphenyl]-N-methylmethanamine
PubChem CID62136233
Molecular FormulaC16H25N3
Molecular Weight259.40 g/mol
Exact Mass259.20
IUPAC Name1-[4-(4-cyclopropylpiperazin-1-yl)-2-methylphenyl]-N-methylmethanamine
SMILESCNCc1ccc(N2CCN(C3CC3)CC2)cc1C
InChIInChI=1S/C16H25N3/c1-13-11-16(4-3-14(13)12-17-2)19-9-7-18(8-10-19)15-5-6-15/h3-4,11,15,17H,5-10,12H2,1-2H3
InChIKeyFKQMFOZLUMYHTR-UHFFFAOYSA-N
XLogP2.00
TPSA18.51 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.40
LogP ≤ 52.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_D(198)', 'substructure': 'N/A'}, {'alert_name': 'anil_di_alk_E(186)', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-[4-(4-cyclopropylpiperazin-1-yl)-2-methylphenyl]-N-methylmethanamine?
The IUPAC name of 1-[4-(4-cyclopropylpiperazin-1-yl)-2-methylphenyl]-N-methylmethanamine (CID 62136233) is 1-[4-(4-cyclopropylpiperazin-1-yl)-2-methylphenyl]-N-methylmethanamine.
What is the SMILES notation for 1-[4-(4-cyclopropylpiperazin-1-yl)-2-methylphenyl]-N-methylmethanamine?
The canonical SMILES for 1-[4-(4-cyclopropylpiperazin-1-yl)-2-methylphenyl]-N-methylmethanamine is CNCc1ccc(N2CCN(C3CC3)CC2)cc1C.
What is the InChIKey of 1-[4-(4-cyclopropylpiperazin-1-yl)-2-methylphenyl]-N-methylmethanamine?
The InChIKey is FKQMFOZLUMYHTR-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25N3/c1-13-11-16(4-3-14(13)12-17-2)19-9-7-18(8-10-19)15-5-6-15/h3-4,11,15,17H,5-10,12H2,1-2H3.
What are the key properties of 1-[4-(4-cyclopropylpiperazin-1-yl)-2-methylphenyl]-N-methylmethanamine?
1-[4-(4-cyclopropylpiperazin-1-yl)-2-methylphenyl]-N-methylmethanamine has a molecular weight of 259.40 g/mol, XLogP of 2.00, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(4-cyclopropylpiperazin-1-yl)-2-methylphenyl]-N-methylmethanamine is sourced from PubChem (CID 62136233), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).