2-[4-[3-(aminomethyl)phenyl]-3-methylpiperazin-1-yl]acetamide

C14H22N4O — CID 174464780

IUPAC2-[4-[3-(aminomethyl)phenyl]-3-methylpiperazin-1-yl]acetamide
SMILESCC1CN(CC(N)=O)CCN1c1cccc(CN)c1
InChIInChI=1S/C14H22N4O/c1-11-9-17(10-14(16)19)5-6-18(11)13-4-2-3-12(7-13)8-15/h2-4,7,11H,5-6,8-10,15H2,1H3,(H2,16,19)
InChIKeyPJQHIOJZUDVXAL-UHFFFAOYSA-N
MW262.36 g/mol
LogP0.14
Rot. Bonds4

About 2-[4-[3-(aminomethyl)phenyl]-3-methylpiperazin-1-yl]acetamide

2-[4-[3-(aminomethyl)phenyl]-3-methylpiperazin-1-yl]acetamide (PubChem CID 174464780) has the molecular formula C14H22N4O and a molecular weight of 262.36 g/mol. Its IUPAC name is 2-[4-[3-(aminomethyl)phenyl]-3-methylpiperazin-1-yl]acetamide.

Molecular Properties

Compound Name2-[4-[3-(aminomethyl)phenyl]-3-methylpiperazin-1-yl]acetamide
PubChem CID174464780
Molecular FormulaC14H22N4O
Molecular Weight262.36 g/mol
Exact Mass262.18
IUPAC Name2-[4-[3-(aminomethyl)phenyl]-3-methylpiperazin-1-yl]acetamide
SMILESCC1CN(CC(N)=O)CCN1c1cccc(CN)c1
InChIInChI=1S/C14H22N4O/c1-11-9-17(10-14(16)19)5-6-18(11)13-4-2-3-12(7-13)8-15/h2-4,7,11H,5-6,8-10,15H2,1H3,(H2,16,19)
InChIKeyPJQHIOJZUDVXAL-UHFFFAOYSA-N
XLogP0.14
TPSA75.59 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.36
LogP ≤ 50.14
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

[3-(3-methylmorpholin-4-yl)phenyl]methanamine
CID 102813467
4-[3-(aminomethyl)phenyl]-3-methylpiperazin-2-one
CID 102813996
2-[(3S)-3-methyl-4-(3-methylphenyl)piperazin-1-yl]-1-(1,2,5-trimethylpyrrol-3-yl)ethanone
CID 6363549
2-amino-5-[(2S)-4-ethyl-2-methylpiperazin-1-yl]benzamide
CID 153382151
[3-(3-methyl-2,3-dihydropyrrol-1-yl)phenyl]methanamine
CID 163959689
1-[3-(aminomethyl)phenyl]-3,4-dimethylimidazolidin-2-one
CID 116981908
1-[3-(aminomethyl)phenyl]pyrrolidine-3,4-diol
CID 106667658
N-(3-acetylphenyl)-2-[3-methyl-4-(4-methylphenyl)piperazin-1-yl]acetamide
CID 22199681
[4-[3-(aminomethyl)phenyl]-6-methylmorpholin-2-yl]methanol
CID 102932040
[3-(4-propylpiperazin-1-yl)phenyl]methanamine
CID 102813325
N-[1-[3-(aminomethyl)phenyl]piperidin-4-yl]acetamide
CID 102814279
3-[3-(aminomethyl)phenyl]-5-methyl-1,3-oxazolidin-2-one
CID 105458801

Frequently Asked Questions

What is the IUPAC name of 2-[4-[3-(aminomethyl)phenyl]-3-methylpiperazin-1-yl]acetamide?
The IUPAC name of 2-[4-[3-(aminomethyl)phenyl]-3-methylpiperazin-1-yl]acetamide (CID 174464780) is 2-[4-[3-(aminomethyl)phenyl]-3-methylpiperazin-1-yl]acetamide.
What is the SMILES notation for 2-[4-[3-(aminomethyl)phenyl]-3-methylpiperazin-1-yl]acetamide?
The canonical SMILES for 2-[4-[3-(aminomethyl)phenyl]-3-methylpiperazin-1-yl]acetamide is CC1CN(CC(N)=O)CCN1c1cccc(CN)c1.
What is the InChIKey of 2-[4-[3-(aminomethyl)phenyl]-3-methylpiperazin-1-yl]acetamide?
The InChIKey is PJQHIOJZUDVXAL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N4O/c1-11-9-17(10-14(16)19)5-6-18(11)13-4-2-3-12(7-13)8-15/h2-4,7,11H,5-6,8-10,15H2,1H3,(H2,16,19).
What are the key properties of 2-[4-[3-(aminomethyl)phenyl]-3-methylpiperazin-1-yl]acetamide?
2-[4-[3-(aminomethyl)phenyl]-3-methylpiperazin-1-yl]acetamide has a molecular weight of 262.36 g/mol, XLogP of 0.14, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[3-(aminomethyl)phenyl]-3-methylpiperazin-1-yl]acetamide is sourced from PubChem (CID 174464780), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).