[4-(4-methylpiperazin-1-yl)phenyl]methanamine

C12H19N3 — CID 2776493

IUPAC[4-(4-methylpiperazin-1-yl)phenyl]methanamine
SMILESCN1CCN(c2ccc(CN)cc2)CC1
InChIInChI=1S/C12H19N3/c1-14-6-8-15(9-7-14)12-4-2-11(10-13)3-5-12/h2-5H,6-10,13H2,1H3
InChIKeyMZFQGKRIWIKPBT-UHFFFAOYSA-N
MW205.31 g/mol
LogP0.90
Rot. Bonds2

About [4-(4-methylpiperazin-1-yl)phenyl]methanamine

[4-(4-methylpiperazin-1-yl)phenyl]methanamine (PubChem CID 2776493) has the molecular formula C12H19N3 and a molecular weight of 205.31 g/mol. Its IUPAC name is [4-(4-methylpiperazin-1-yl)phenyl]methanamine.

Molecular Properties

Compound Name[4-(4-methylpiperazin-1-yl)phenyl]methanamine
PubChem CID2776493
Molecular FormulaC12H19N3
Molecular Weight205.31 g/mol
Exact Mass205.16
IUPAC Name[4-(4-methylpiperazin-1-yl)phenyl]methanamine
SMILESCN1CCN(c2ccc(CN)cc2)CC1
InChIInChI=1S/C12H19N3/c1-14-6-8-15(9-7-14)12-4-2-11(10-13)3-5-12/h2-5H,6-10,13H2,1H3
InChIKeyMZFQGKRIWIKPBT-UHFFFAOYSA-N
XLogP0.90
TPSA32.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500205.31
LogP ≤ 50.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of [4-(4-methylpiperazin-1-yl)phenyl]methanamine?
The IUPAC name of [4-(4-methylpiperazin-1-yl)phenyl]methanamine (CID 2776493) is [4-(4-methylpiperazin-1-yl)phenyl]methanamine.
What is the SMILES notation for [4-(4-methylpiperazin-1-yl)phenyl]methanamine?
The canonical SMILES for [4-(4-methylpiperazin-1-yl)phenyl]methanamine is CN1CCN(c2ccc(CN)cc2)CC1.
What is the InChIKey of [4-(4-methylpiperazin-1-yl)phenyl]methanamine?
The InChIKey is MZFQGKRIWIKPBT-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19N3/c1-14-6-8-15(9-7-14)12-4-2-11(10-13)3-5-12/h2-5H,6-10,13H2,1H3.
What are the key properties of [4-(4-methylpiperazin-1-yl)phenyl]methanamine?
[4-(4-methylpiperazin-1-yl)phenyl]methanamine has a molecular weight of 205.31 g/mol, XLogP of 0.90, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(4-methylpiperazin-1-yl)phenyl]methanamine is sourced from PubChem (CID 2776493), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).