[3-[(4-methylpiperazin-1-yl)methyl]phenyl]methanamine

C13H21N3 — CID 16769051

IUPAC[3-[(4-methylpiperazin-1-yl)methyl]phenyl]methanamine
SMILESCN1CCN(Cc2cccc(CN)c2)CC1
InChIInChI=1S/C13H21N3/c1-15-5-7-16(8-6-15)11-13-4-2-3-12(9-13)10-14/h2-4,9H,5-8,10-11,14H2,1H3
InChIKeyHMWCORSELDZBCN-UHFFFAOYSA-N
MW219.33 g/mol
LogP0.89
Rot. Bonds3

About [3-[(4-methylpiperazin-1-yl)methyl]phenyl]methanamine

[3-[(4-methylpiperazin-1-yl)methyl]phenyl]methanamine (PubChem CID 16769051) has the molecular formula C13H21N3 and a molecular weight of 219.33 g/mol. Its IUPAC name is [3-[(4-methylpiperazin-1-yl)methyl]phenyl]methanamine.

Molecular Properties

Compound Name[3-[(4-methylpiperazin-1-yl)methyl]phenyl]methanamine
PubChem CID16769051
Molecular FormulaC13H21N3
Molecular Weight219.33 g/mol
Exact Mass219.17
IUPAC Name[3-[(4-methylpiperazin-1-yl)methyl]phenyl]methanamine
SMILESCN1CCN(Cc2cccc(CN)c2)CC1
InChIInChI=1S/C13H21N3/c1-15-5-7-16(8-6-15)11-13-4-2-3-12(9-13)10-14/h2-4,9H,5-8,10-11,14H2,1H3
InChIKeyHMWCORSELDZBCN-UHFFFAOYSA-N
XLogP0.89
TPSA32.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.33
LogP ≤ 50.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of [3-[(4-methylpiperazin-1-yl)methyl]phenyl]methanamine?
The IUPAC name of [3-[(4-methylpiperazin-1-yl)methyl]phenyl]methanamine (CID 16769051) is [3-[(4-methylpiperazin-1-yl)methyl]phenyl]methanamine.
What is the SMILES notation for [3-[(4-methylpiperazin-1-yl)methyl]phenyl]methanamine?
The canonical SMILES for [3-[(4-methylpiperazin-1-yl)methyl]phenyl]methanamine is CN1CCN(Cc2cccc(CN)c2)CC1.
What is the InChIKey of [3-[(4-methylpiperazin-1-yl)methyl]phenyl]methanamine?
The InChIKey is HMWCORSELDZBCN-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21N3/c1-15-5-7-16(8-6-15)11-13-4-2-3-12(9-13)10-14/h2-4,9H,5-8,10-11,14H2,1H3.
What are the key properties of [3-[(4-methylpiperazin-1-yl)methyl]phenyl]methanamine?
[3-[(4-methylpiperazin-1-yl)methyl]phenyl]methanamine has a molecular weight of 219.33 g/mol, XLogP of 0.89, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [3-[(4-methylpiperazin-1-yl)methyl]phenyl]methanamine is sourced from PubChem (CID 16769051), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).