2-amino-3-(4-chlorophenyl)-1-[4-(3-phenylphenyl)piperidin-1-yl]propan-1-one;hydrochloride

C26H28Cl2N2O — CID 69237841

IUPAC2-amino-3-(4-chlorophenyl)-1-[4-(3-phenylphenyl)piperidin-1-yl]propan-1-one;hydrochloride
SMILESCl.NC(Cc1ccc(Cl)cc1)C(=O)N1CCC(c2cccc(-c3ccccc3)c2)CC1
InChIInChI=1S/C26H27ClN2O.ClH/c27-24-11-9-19(10-12-24)17-25(28)26(30)29-15-13-21(14-16-29)23-8-4-7-22(18-23)20-5-2-1-3-6-20;/h1-12,18,21,25H,13-17,28H2;1H
InChIKeyVKAXRXZYBFNJGJ-UHFFFAOYSA-N
MW455.43 g/mol
LogP5.70
Rot. Bonds5

About 2-amino-3-(4-chlorophenyl)-1-[4-(3-phenylphenyl)piperidin-1-yl]propan-1-one;hydrochloride

2-amino-3-(4-chlorophenyl)-1-[4-(3-phenylphenyl)piperidin-1-yl]propan-1-one;hydrochloride (PubChem CID 69237841) has the molecular formula C26H28Cl2N2O and a molecular weight of 455.43 g/mol. Its IUPAC name is 2-amino-3-(4-chlorophenyl)-1-[4-(3-phenylphenyl)piperidin-1-yl]propan-1-one;hydrochloride.

Molecular Properties

Compound Name2-amino-3-(4-chlorophenyl)-1-[4-(3-phenylphenyl)piperidin-1-yl]propan-1-one;hydrochloride
PubChem CID69237841
Molecular FormulaC26H28Cl2N2O
Molecular Weight455.43 g/mol
Exact Mass454.16
IUPAC Name2-amino-3-(4-chlorophenyl)-1-[4-(3-phenylphenyl)piperidin-1-yl]propan-1-one;hydrochloride
SMILESCl.NC(Cc1ccc(Cl)cc1)C(=O)N1CCC(c2cccc(-c3ccccc3)c2)CC1
InChIInChI=1S/C26H27ClN2O.ClH/c27-24-11-9-19(10-12-24)17-25(28)26(30)29-15-13-21(14-16-29)23-8-4-7-22(18-23)20-5-2-1-3-6-20;/h1-12,18,21,25H,13-17,28H2;1H
InChIKeyVKAXRXZYBFNJGJ-UHFFFAOYSA-N
XLogP5.70
TPSA46.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500455.43
LogP ≤ 55.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

4-(3-phenylphenyl)piperidine-1-carboxylic acid
CID 151080045
(2S)-2-amino-1-[4-[2-(4-chlorophenyl)acetyl]piperazin-1-yl]-3-phenylpropan-1-one
CID 119287937
(2R)-2-amino-3-(4-chlorophenyl)-1-[4-(6-phenylquinazolin-4-yl)piperazin-1-yl]propan-1-one
CID 52944431
(2S)-2-amino-1-(4-ethenylpiperidin-1-yl)-3-phenylpropan-1-one;hydrochloride
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(2R)-2-amino-3-(4-chlorophenyl)-1-[4-(1H-imidazol-2-yl)piperidin-1-yl]propan-1-one
CID 70731117
(2S)-2-amino-3-(4-hydroxyphenyl)-1-[(2S)-2-(3-phenylphenyl)piperidin-1-yl]propan-1-one
CID 10476117
2-amino-1-(3-methylpyrrolidin-1-yl)-3-phenylpropan-1-one;hydrochloride
CID 119303310
2-amino-3-(4-chlorophenyl)-1-(4-iodopiperazin-1-yl)propan-1-one
CID 143338881
(2S)-2-amino-1-(4-phenylpiperidin-1-yl)butan-1-one
CID 79024088
2-amino-3-methoxy-1-(4-phenylpiperidin-1-yl)propan-1-one;hydrochloride
CID 120984914
(2S)-2-amino-3-(1-benzylimidazol-4-yl)-1-(4-phenylpiperidin-1-yl)propan-1-one
CID 119703068
(2R)-2-amino-1-[4-(hydroxymethyl)piperidin-1-yl]-3-phenylpropan-1-one
CID 78985406

Frequently Asked Questions

What is the IUPAC name of 2-amino-3-(4-chlorophenyl)-1-[4-(3-phenylphenyl)piperidin-1-yl]propan-1-one;hydrochloride?
The IUPAC name of 2-amino-3-(4-chlorophenyl)-1-[4-(3-phenylphenyl)piperidin-1-yl]propan-1-one;hydrochloride (CID 69237841) is 2-amino-3-(4-chlorophenyl)-1-[4-(3-phenylphenyl)piperidin-1-yl]propan-1-one;hydrochloride.
What is the SMILES notation for 2-amino-3-(4-chlorophenyl)-1-[4-(3-phenylphenyl)piperidin-1-yl]propan-1-one;hydrochloride?
The canonical SMILES for 2-amino-3-(4-chlorophenyl)-1-[4-(3-phenylphenyl)piperidin-1-yl]propan-1-one;hydrochloride is Cl.NC(Cc1ccc(Cl)cc1)C(=O)N1CCC(c2cccc(-c3ccccc3)c2)CC1.
What is the InChIKey of 2-amino-3-(4-chlorophenyl)-1-[4-(3-phenylphenyl)piperidin-1-yl]propan-1-one;hydrochloride?
The InChIKey is VKAXRXZYBFNJGJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H27ClN2O.ClH/c27-24-11-9-19(10-12-24)17-25(28)26(30)29-15-13-21(14-16-29)23-8-4-7-22(18-23)20-5-2-1-3-6-20;/h1-12,18,21,25H,13-17,28H2;1H.
What are the key properties of 2-amino-3-(4-chlorophenyl)-1-[4-(3-phenylphenyl)piperidin-1-yl]propan-1-one;hydrochloride?
2-amino-3-(4-chlorophenyl)-1-[4-(3-phenylphenyl)piperidin-1-yl]propan-1-one;hydrochloride has a molecular weight of 455.43 g/mol, XLogP of 5.70, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-3-(4-chlorophenyl)-1-[4-(3-phenylphenyl)piperidin-1-yl]propan-1-one;hydrochloride is sourced from PubChem (CID 69237841), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).