1-[4-[(3-amino-2-ethylphenyl)methyl]piperazin-1-yl]ethanone

C15H23N3O — CID 156722332

IUPAC1-[4-[(3-amino-2-ethylphenyl)methyl]piperazin-1-yl]ethanone
SMILESCCc1c(N)cccc1CN1CCN(C(C)=O)CC1
InChIInChI=1S/C15H23N3O/c1-3-14-13(5-4-6-15(14)16)11-17-7-9-18(10-8-17)12(2)19/h4-6H,3,7-11,16H2,1-2H3
InChIKeyLOOXCIWYLYPWDA-UHFFFAOYSA-N
MW261.37 g/mol
LogP1.50
Rot. Bonds3

About 1-[4-[(3-amino-2-ethylphenyl)methyl]piperazin-1-yl]ethanone

1-[4-[(3-amino-2-ethylphenyl)methyl]piperazin-1-yl]ethanone (PubChem CID 156722332) has the molecular formula C15H23N3O and a molecular weight of 261.37 g/mol. Its IUPAC name is 1-[4-[(3-amino-2-ethylphenyl)methyl]piperazin-1-yl]ethanone.

Molecular Properties

Compound Name1-[4-[(3-amino-2-ethylphenyl)methyl]piperazin-1-yl]ethanone
PubChem CID156722332
Molecular FormulaC15H23N3O
Molecular Weight261.37 g/mol
Exact Mass261.18
IUPAC Name1-[4-[(3-amino-2-ethylphenyl)methyl]piperazin-1-yl]ethanone
SMILESCCc1c(N)cccc1CN1CCN(C(C)=O)CC1
InChIInChI=1S/C15H23N3O/c1-3-14-13(5-4-6-15(14)16)11-17-7-9-18(10-8-17)12(2)19/h4-6H,3,7-11,16H2,1-2H3
InChIKeyLOOXCIWYLYPWDA-UHFFFAOYSA-N
XLogP1.50
TPSA49.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.37
LogP ≤ 51.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

1-[4-[(3-amino-2-methylphenyl)methyl]piperazin-1-yl]ethanone
CID 43509104
2-(3-amino-2-ethylphenyl)acetic acid
CID 91873822
1-[4-[(2,6-difluorophenyl)methyl]piperazin-1-yl]ethanone
CID 756967
2-[(4-acetylpiperazin-1-yl)methyl]benzohydrazide
CID 63569716
1-[4-[(5-amino-2-hydroxyphenyl)methyl]piperazin-1-yl]ethanone
CID 43375641
3-[(4-acetylpiperazin-1-yl)methyl]-2-fluorobenzenecarbothioamide
CID 107115292
1-[4-[(2-amino-3-pyridinyl)methyl]-1,4-diazepan-1-yl]ethanone
CID 62466270
1-[4-(2,6-diethylphenyl)piperazin-1-yl]ethanone
CID 113076338
1-[4-(2,3-dihydro-1H-indol-7-ylmethyl)piperazin-1-yl]ethanone
CID 114326996
1-[4-(2-amino-6-ethoxybenzoyl)piperazin-1-yl]ethanone
CID 81395178
1-[4-[(3-bromo-2-hydroxyphenyl)methyl]-1,4-diazepan-1-yl]ethanone
CID 82986155
3-amino-2-ethylbenzoic acid
CID 18185344

Frequently Asked Questions

What is the IUPAC name of 1-[4-[(3-amino-2-ethylphenyl)methyl]piperazin-1-yl]ethanone?
The IUPAC name of 1-[4-[(3-amino-2-ethylphenyl)methyl]piperazin-1-yl]ethanone (CID 156722332) is 1-[4-[(3-amino-2-ethylphenyl)methyl]piperazin-1-yl]ethanone.
What is the SMILES notation for 1-[4-[(3-amino-2-ethylphenyl)methyl]piperazin-1-yl]ethanone?
The canonical SMILES for 1-[4-[(3-amino-2-ethylphenyl)methyl]piperazin-1-yl]ethanone is CCc1c(N)cccc1CN1CCN(C(C)=O)CC1.
What is the InChIKey of 1-[4-[(3-amino-2-ethylphenyl)methyl]piperazin-1-yl]ethanone?
The InChIKey is LOOXCIWYLYPWDA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23N3O/c1-3-14-13(5-4-6-15(14)16)11-17-7-9-18(10-8-17)12(2)19/h4-6H,3,7-11,16H2,1-2H3.
What are the key properties of 1-[4-[(3-amino-2-ethylphenyl)methyl]piperazin-1-yl]ethanone?
1-[4-[(3-amino-2-ethylphenyl)methyl]piperazin-1-yl]ethanone has a molecular weight of 261.37 g/mol, XLogP of 1.50, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-[(3-amino-2-ethylphenyl)methyl]piperazin-1-yl]ethanone is sourced from PubChem (CID 156722332), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).