2-(4-aminophenyl)-1-[4-(1-ethylpyrazol-4-yl)piperidin-1-yl]ethanone;dihydrochloride

C18H26Cl2N4O — CID 119873901

IUPAC2-(4-aminophenyl)-1-[4-(1-ethylpyrazol-4-yl)piperidin-1-yl]ethanone;dihydrochloride
SMILESCCn1cc(C2CCN(C(=O)Cc3ccc(N)cc3)CC2)cn1.Cl.Cl
InChIInChI=1S/C18H24N4O.2ClH/c1-2-22-13-16(12-20-22)15-7-9-21(10-8-15)18(23)11-14-3-5-17(19)6-4-14;;/h3-6,12-13,15H,2,7-11,19H2,1H3;2*1H
InChIKeyAGHIJRWXSWWHFK-UHFFFAOYSA-N
MW385.34 g/mol
LogP3.28
Rot. Bonds4

About 2-(4-aminophenyl)-1-[4-(1-ethylpyrazol-4-yl)piperidin-1-yl]ethanone;dihydrochloride

2-(4-aminophenyl)-1-[4-(1-ethylpyrazol-4-yl)piperidin-1-yl]ethanone;dihydrochloride (PubChem CID 119873901) has the molecular formula C18H26Cl2N4O and a molecular weight of 385.34 g/mol. Its IUPAC name is 2-(4-aminophenyl)-1-[4-(1-ethylpyrazol-4-yl)piperidin-1-yl]ethanone;dihydrochloride.

Molecular Properties

Compound Name2-(4-aminophenyl)-1-[4-(1-ethylpyrazol-4-yl)piperidin-1-yl]ethanone;dihydrochloride
PubChem CID119873901
Molecular FormulaC18H26Cl2N4O
Molecular Weight385.34 g/mol
Exact Mass384.15
IUPAC Name2-(4-aminophenyl)-1-[4-(1-ethylpyrazol-4-yl)piperidin-1-yl]ethanone;dihydrochloride
SMILESCCn1cc(C2CCN(C(=O)Cc3ccc(N)cc3)CC2)cn1.Cl.Cl
InChIInChI=1S/C18H24N4O.2ClH/c1-2-22-13-16(12-20-22)15-7-9-21(10-8-15)18(23)11-14-3-5-17(19)6-4-14;;/h3-6,12-13,15H,2,7-11,19H2,1H3;2*1H
InChIKeyAGHIJRWXSWWHFK-UHFFFAOYSA-N
XLogP3.28
TPSA64.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500385.34
LogP ≤ 53.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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

2-(4-aminophenyl)-1-[4-(4-methylpiperidine-1-carbonyl)piperidin-1-yl]ethanone;hydrochloride
CID 119738132
2-(4-aminophenyl)-1-(4,4-dimethylpiperidin-1-yl)ethanone
CID 62936167
2-amino-1-[4-(1-ethylpyrazol-4-yl)piperidin-1-yl]-2-(4-methylphenyl)ethanone
CID 120670092
2-[1-[2-(4-aminophenyl)acetyl]piperidin-4-yl]-1-(4-ethylpiperazin-1-yl)ethanone
CID 119879430
2-(4-cyclopropylphenyl)-1-[4-(methylamino)piperidin-1-yl]ethanone;hydrochloride
CID 170984520
4-[2-(4-aminophenyl)acetyl]-N,N-diethylpiperazine-1-carboxamide;hydrochloride
CID 119718562
[4-(1-ethylpyrazol-4-yl)piperidin-1-yl]-[(2S,4S)-2-methylpiperidin-4-yl]methanone;hydrochloride
CID 120637111
1-[2-(4-aminophenyl)acetyl]-N-[(4-methylphenyl)methyl]piperidine-4-carboxamide
CID 119759278
2-(4-aminophenyl)-1-(4-methylpiperazin-1-yl)ethanone
CID 16773079
2-[1-[2-(4-aminophenyl)acetyl]piperidin-4-yl]acetamide
CID 60964094
2-(4-aminophenyl)-1-(9-methyl-3,9-diazabicyclo[4.2.1]nonan-3-yl)ethanone
CID 79174351
[4-(1-ethylpyrazol-4-yl)piperidin-1-yl]-(4-fluoro-2-hydroxyphenyl)methanone
CID 122138150

Frequently Asked Questions

What is the IUPAC name of 2-(4-aminophenyl)-1-[4-(1-ethylpyrazol-4-yl)piperidin-1-yl]ethanone;dihydrochloride?
The IUPAC name of 2-(4-aminophenyl)-1-[4-(1-ethylpyrazol-4-yl)piperidin-1-yl]ethanone;dihydrochloride (CID 119873901) is 2-(4-aminophenyl)-1-[4-(1-ethylpyrazol-4-yl)piperidin-1-yl]ethanone;dihydrochloride.
What is the SMILES notation for 2-(4-aminophenyl)-1-[4-(1-ethylpyrazol-4-yl)piperidin-1-yl]ethanone;dihydrochloride?
The canonical SMILES for 2-(4-aminophenyl)-1-[4-(1-ethylpyrazol-4-yl)piperidin-1-yl]ethanone;dihydrochloride is CCn1cc(C2CCN(C(=O)Cc3ccc(N)cc3)CC2)cn1.Cl.Cl.
What is the InChIKey of 2-(4-aminophenyl)-1-[4-(1-ethylpyrazol-4-yl)piperidin-1-yl]ethanone;dihydrochloride?
The InChIKey is AGHIJRWXSWWHFK-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H24N4O.2ClH/c1-2-22-13-16(12-20-22)15-7-9-21(10-8-15)18(23)11-14-3-5-17(19)6-4-14;;/h3-6,12-13,15H,2,7-11,19H2,1H3;2*1H.
What are the key properties of 2-(4-aminophenyl)-1-[4-(1-ethylpyrazol-4-yl)piperidin-1-yl]ethanone;dihydrochloride?
2-(4-aminophenyl)-1-[4-(1-ethylpyrazol-4-yl)piperidin-1-yl]ethanone;dihydrochloride has a molecular weight of 385.34 g/mol, XLogP of 3.28, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-aminophenyl)-1-[4-(1-ethylpyrazol-4-yl)piperidin-1-yl]ethanone;dihydrochloride is sourced from PubChem (CID 119873901), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).