2-(4-aminophenyl)-1-[4-[2-(4-methylphenyl)ethyl]piperidin-1-yl]ethanone

C22H28N2O — CID 119698261

IUPAC2-(4-aminophenyl)-1-[4-[2-(4-methylphenyl)ethyl]piperidin-1-yl]ethanone
SMILESCc1ccc(CCC2CCN(C(=O)Cc3ccc(N)cc3)CC2)cc1
InChIInChI=1S/C22H28N2O/c1-17-2-4-18(5-3-17)6-7-19-12-14-24(15-13-19)22(25)16-20-8-10-21(23)11-9-20/h2-5,8-11,19H,6-7,12-16,23H2,1H3
InChIKeyBKNAFPDWNFANOW-UHFFFAOYSA-N
MW336.48 g/mol
LogP3.99
Rot. Bonds5

About 2-(4-aminophenyl)-1-[4-[2-(4-methylphenyl)ethyl]piperidin-1-yl]ethanone

2-(4-aminophenyl)-1-[4-[2-(4-methylphenyl)ethyl]piperidin-1-yl]ethanone (PubChem CID 119698261) has the molecular formula C22H28N2O and a molecular weight of 336.48 g/mol. Its IUPAC name is 2-(4-aminophenyl)-1-[4-[2-(4-methylphenyl)ethyl]piperidin-1-yl]ethanone.

Molecular Properties

Compound Name2-(4-aminophenyl)-1-[4-[2-(4-methylphenyl)ethyl]piperidin-1-yl]ethanone
PubChem CID119698261
Molecular FormulaC22H28N2O
Molecular Weight336.48 g/mol
Exact Mass336.22
IUPAC Name2-(4-aminophenyl)-1-[4-[2-(4-methylphenyl)ethyl]piperidin-1-yl]ethanone
SMILESCc1ccc(CCC2CCN(C(=O)Cc3ccc(N)cc3)CC2)cc1
InChIInChI=1S/C22H28N2O/c1-17-2-4-18(5-3-17)6-7-19-12-14-24(15-13-19)22(25)16-20-8-10-21(23)11-9-20/h2-5,8-11,19H,6-7,12-16,23H2,1H3
InChIKeyBKNAFPDWNFANOW-UHFFFAOYSA-N
XLogP3.99
TPSA46.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.48
LogP ≤ 53.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_no_alk(40)', 'substructure': 'N/A'}, {'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

1-[4-(chloromethyl)piperidin-1-yl]-2-(4-methylphenyl)ethanone
CID 63397980
2-[1-[2-(4-aminophenyl)acetyl]piperidin-4-yl]acetamide
CID 60964094
1-[2-(4-aminophenyl)acetyl]-N-[(4-methylphenyl)methyl]piperidine-4-carboxamide
CID 119759278
1-[4-[2-(4-methylphenyl)ethyl]piperidin-1-yl]-2-pyrrolidin-2-ylethanone
CID 119698291
[(1R,2S)-2-methylcyclopropyl]-[4-[2-(4-methylphenyl)ethyl]piperidin-1-yl]methanone
CID 51928091
tert-butyl 4-[2-(4-methylphenyl)ethyl]piperidine-1-carboxylate
CID 65142715
2-(4-aminophenyl)-1-[3-(methoxymethyl)pyrrolidin-1-yl]ethanone
CID 64568201
[(1S,2S)-2-methylcyclopropyl]-[4-[2-(4-methylphenyl)ethyl]piperidin-1-yl]methanone
CID 51928092
2-bromo-1-[4-[2-(4-methylphenyl)ethyl]piperidin-1-yl]propan-1-one
CID 107903147
2-[1-[2-(4-aminophenyl)acetyl]piperidin-4-yl]-1-(4-ethylpiperazin-1-yl)ethanone
CID 119879430
[4-[2-(4-methylphenyl)ethyl]piperidin-1-yl]-piperidin-4-ylmethanone;hydrochloride
CID 119275901
2-[4-(aminomethyl)phenyl]-1-(4-propylpiperidin-1-yl)ethanone
CID 63590690

Frequently Asked Questions

What is the IUPAC name of 2-(4-aminophenyl)-1-[4-[2-(4-methylphenyl)ethyl]piperidin-1-yl]ethanone?
The IUPAC name of 2-(4-aminophenyl)-1-[4-[2-(4-methylphenyl)ethyl]piperidin-1-yl]ethanone (CID 119698261) is 2-(4-aminophenyl)-1-[4-[2-(4-methylphenyl)ethyl]piperidin-1-yl]ethanone.
What is the SMILES notation for 2-(4-aminophenyl)-1-[4-[2-(4-methylphenyl)ethyl]piperidin-1-yl]ethanone?
The canonical SMILES for 2-(4-aminophenyl)-1-[4-[2-(4-methylphenyl)ethyl]piperidin-1-yl]ethanone is Cc1ccc(CCC2CCN(C(=O)Cc3ccc(N)cc3)CC2)cc1.
What is the InChIKey of 2-(4-aminophenyl)-1-[4-[2-(4-methylphenyl)ethyl]piperidin-1-yl]ethanone?
The InChIKey is BKNAFPDWNFANOW-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H28N2O/c1-17-2-4-18(5-3-17)6-7-19-12-14-24(15-13-19)22(25)16-20-8-10-21(23)11-9-20/h2-5,8-11,19H,6-7,12-16,23H2,1H3.
What are the key properties of 2-(4-aminophenyl)-1-[4-[2-(4-methylphenyl)ethyl]piperidin-1-yl]ethanone?
2-(4-aminophenyl)-1-[4-[2-(4-methylphenyl)ethyl]piperidin-1-yl]ethanone has a molecular weight of 336.48 g/mol, XLogP of 3.99, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-aminophenyl)-1-[4-[2-(4-methylphenyl)ethyl]piperidin-1-yl]ethanone is sourced from PubChem (CID 119698261), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).