[3-(2-ethylpiperazin-1-yl)phenyl]methanamine

C13H21N3 — CID 174498888

IUPAC[3-(2-ethylpiperazin-1-yl)phenyl]methanamine
SMILESCCC1CNCCN1c1cccc(CN)c1
InChIInChI=1S/C13H21N3/c1-2-12-10-15-6-7-16(12)13-5-3-4-11(8-13)9-14/h3-5,8,12,15H,2,6-7,9-10,14H2,1H3
InChIKeyGRZULHVUIYNFFR-UHFFFAOYSA-N
MW219.33 g/mol
LogP1.33
Rot. Bonds3

About [3-(2-ethylpiperazin-1-yl)phenyl]methanamine

[3-(2-ethylpiperazin-1-yl)phenyl]methanamine (PubChem CID 174498888) has the molecular formula C13H21N3 and a molecular weight of 219.33 g/mol. Its IUPAC name is [3-(2-ethylpiperazin-1-yl)phenyl]methanamine.

Molecular Properties

Compound Name[3-(2-ethylpiperazin-1-yl)phenyl]methanamine
PubChem CID174498888
Molecular FormulaC13H21N3
Molecular Weight219.33 g/mol
Exact Mass219.17
IUPAC Name[3-(2-ethylpiperazin-1-yl)phenyl]methanamine
SMILESCCC1CNCCN1c1cccc(CN)c1
InChIInChI=1S/C13H21N3/c1-2-12-10-15-6-7-16(12)13-5-3-4-11(8-13)9-14/h3-5,8,12,15H,2,6-7,9-10,14H2,1H3
InChIKeyGRZULHVUIYNFFR-UHFFFAOYSA-N
XLogP1.33
TPSA41.29 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.33
LogP ≤ 51.33
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of [3-(2-ethylpiperazin-1-yl)phenyl]methanamine?
The IUPAC name of [3-(2-ethylpiperazin-1-yl)phenyl]methanamine (CID 174498888) is [3-(2-ethylpiperazin-1-yl)phenyl]methanamine.
What is the SMILES notation for [3-(2-ethylpiperazin-1-yl)phenyl]methanamine?
The canonical SMILES for [3-(2-ethylpiperazin-1-yl)phenyl]methanamine is CCC1CNCCN1c1cccc(CN)c1.
What is the InChIKey of [3-(2-ethylpiperazin-1-yl)phenyl]methanamine?
The InChIKey is GRZULHVUIYNFFR-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21N3/c1-2-12-10-15-6-7-16(12)13-5-3-4-11(8-13)9-14/h3-5,8,12,15H,2,6-7,9-10,14H2,1H3.
What are the key properties of [3-(2-ethylpiperazin-1-yl)phenyl]methanamine?
[3-(2-ethylpiperazin-1-yl)phenyl]methanamine has a molecular weight of 219.33 g/mol, XLogP of 1.33, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [3-(2-ethylpiperazin-1-yl)phenyl]methanamine is sourced from PubChem (CID 174498888), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).