[2-(aminomethyl)-4-methylpiperazin-1-yl]-(4-ethoxyphenyl)methanone

C15H23N3O2 — CID 80504967

IUPAC[2-(aminomethyl)-4-methylpiperazin-1-yl]-(4-ethoxyphenyl)methanone
SMILESCCOc1ccc(C(=O)N2CCN(C)CC2CN)cc1
InChIInChI=1S/C15H23N3O2/c1-3-20-14-6-4-12(5-7-14)15(19)18-9-8-17(2)11-13(18)10-16/h4-7,13H,3,8-11,16H2,1-2H3
InChIKeyALRVQRLMKAPXST-UHFFFAOYSA-N
MW277.37 g/mol
LogP0.80
Rot. Bonds4

About [2-(aminomethyl)-4-methylpiperazin-1-yl]-(4-ethoxyphenyl)methanone

[2-(aminomethyl)-4-methylpiperazin-1-yl]-(4-ethoxyphenyl)methanone (PubChem CID 80504967) has the molecular formula C15H23N3O2 and a molecular weight of 277.37 g/mol. Its IUPAC name is [2-(aminomethyl)-4-methylpiperazin-1-yl]-(4-ethoxyphenyl)methanone.

Molecular Properties

Compound Name[2-(aminomethyl)-4-methylpiperazin-1-yl]-(4-ethoxyphenyl)methanone
PubChem CID80504967
Molecular FormulaC15H23N3O2
Molecular Weight277.37 g/mol
Exact Mass277.18
IUPAC Name[2-(aminomethyl)-4-methylpiperazin-1-yl]-(4-ethoxyphenyl)methanone
SMILESCCOc1ccc(C(=O)N2CCN(C)CC2CN)cc1
InChIInChI=1S/C15H23N3O2/c1-3-20-14-6-4-12(5-7-14)15(19)18-9-8-17(2)11-13(18)10-16/h4-7,13H,3,8-11,16H2,1-2H3
InChIKeyALRVQRLMKAPXST-UHFFFAOYSA-N
XLogP0.80
TPSA58.80 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.37
LogP ≤ 50.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

[2-(aminomethyl)-4-methylpiperazin-1-yl]-[4-(dimethylamino)phenyl]methanone
CID 80504994
[2-(aminomethyl)-4-methylpiperazin-1-yl]-quinoxalin-6-ylmethanone
CID 80503980
[2-(aminomethyl)-4-methylpiperazin-1-yl]-(3-fluoro-4-methylphenyl)methanone
CID 80505001
(3-aminopyrrolidin-1-yl)-(4-ethoxyphenyl)methanone
CID 62068283
aziridin-1-yl-(4-ethoxyphenyl)methanone
CID 121216936
4-[2-(aminomethyl)-4-methylpiperazine-1-carbonyl]-N-cyclopropylbenzenesulfonamide
CID 167745067
[2-(aminomethyl)-4-methylpiperazin-1-yl]-(3-fluorophenyl)methanone
CID 80504536
[2-(aminomethyl)-4-methylpiperazin-1-yl]-(2,5-dimethoxyphenyl)methanone
CID 80504005
(4-aminophenyl)-[2-(hydroxymethyl)-4-methylpiperazin-1-yl]methanone
CID 141370484
(4-ethoxyphenyl)-[2-(hydroxymethyl)piperidin-1-yl]methanone
CID 43421593
[2-(aminomethyl)pyrrolidin-1-yl]-(4-butoxyphenyl)methanone;hydrochloride
CID 119631878
[2-(aminomethyl)-4-methylpiperazin-1-yl]-(3-bromo-5-chlorophenyl)methanone
CID 107940117

Frequently Asked Questions

What is the IUPAC name of [2-(aminomethyl)-4-methylpiperazin-1-yl]-(4-ethoxyphenyl)methanone?
The IUPAC name of [2-(aminomethyl)-4-methylpiperazin-1-yl]-(4-ethoxyphenyl)methanone (CID 80504967) is [2-(aminomethyl)-4-methylpiperazin-1-yl]-(4-ethoxyphenyl)methanone.
What is the SMILES notation for [2-(aminomethyl)-4-methylpiperazin-1-yl]-(4-ethoxyphenyl)methanone?
The canonical SMILES for [2-(aminomethyl)-4-methylpiperazin-1-yl]-(4-ethoxyphenyl)methanone is CCOc1ccc(C(=O)N2CCN(C)CC2CN)cc1.
What is the InChIKey of [2-(aminomethyl)-4-methylpiperazin-1-yl]-(4-ethoxyphenyl)methanone?
The InChIKey is ALRVQRLMKAPXST-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23N3O2/c1-3-20-14-6-4-12(5-7-14)15(19)18-9-8-17(2)11-13(18)10-16/h4-7,13H,3,8-11,16H2,1-2H3.
What are the key properties of [2-(aminomethyl)-4-methylpiperazin-1-yl]-(4-ethoxyphenyl)methanone?
[2-(aminomethyl)-4-methylpiperazin-1-yl]-(4-ethoxyphenyl)methanone has a molecular weight of 277.37 g/mol, XLogP of 0.80, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(aminomethyl)-4-methylpiperazin-1-yl]-(4-ethoxyphenyl)methanone is sourced from PubChem (CID 80504967), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).