[5-amino-2-(4-methylpiperidin-1-yl)phenyl]-(3-chlorophenyl)methanone

C19H21ClN2O — CID 15072449

IUPAC[5-amino-2-(4-methylpiperidin-1-yl)phenyl]-(3-chlorophenyl)methanone
SMILESCC1CCN(c2ccc(N)cc2C(=O)c2cccc(Cl)c2)CC1
InChIInChI=1S/C19H21ClN2O/c1-13-7-9-22(10-8-13)18-6-5-16(21)12-17(18)19(23)14-3-2-4-15(20)11-14/h2-6,11-13H,7-10,21H2,1H3
InChIKeyAZFAWQGWIOVRAD-UHFFFAOYSA-N
MW328.84 g/mol
LogP4.39
Rot. Bonds3

About [5-amino-2-(4-methylpiperidin-1-yl)phenyl]-(3-chlorophenyl)methanone

[5-amino-2-(4-methylpiperidin-1-yl)phenyl]-(3-chlorophenyl)methanone (PubChem CID 15072449) has the molecular formula C19H21ClN2O and a molecular weight of 328.84 g/mol. Its IUPAC name is [5-amino-2-(4-methylpiperidin-1-yl)phenyl]-(3-chlorophenyl)methanone.

Molecular Properties

Compound Name[5-amino-2-(4-methylpiperidin-1-yl)phenyl]-(3-chlorophenyl)methanone
PubChem CID15072449
Molecular FormulaC19H21ClN2O
Molecular Weight328.84 g/mol
Exact Mass328.13
IUPAC Name[5-amino-2-(4-methylpiperidin-1-yl)phenyl]-(3-chlorophenyl)methanone
SMILESCC1CCN(c2ccc(N)cc2C(=O)c2cccc(Cl)c2)CC1
InChIInChI=1S/C19H21ClN2O/c1-13-7-9-22(10-8-13)18-6-5-16(21)12-17(18)19(23)14-3-2-4-15(20)11-14/h2-6,11-13H,7-10,21H2,1H3
InChIKeyAZFAWQGWIOVRAD-UHFFFAOYSA-N
XLogP4.39
TPSA46.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.84
LogP ≤ 54.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_A(478)', 'substructure': 'N/A'}, {'alert_name': 'aniline', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of [5-amino-2-(4-methylpiperidin-1-yl)phenyl]-(3-chlorophenyl)methanone?
The IUPAC name of [5-amino-2-(4-methylpiperidin-1-yl)phenyl]-(3-chlorophenyl)methanone (CID 15072449) is [5-amino-2-(4-methylpiperidin-1-yl)phenyl]-(3-chlorophenyl)methanone.
What is the SMILES notation for [5-amino-2-(4-methylpiperidin-1-yl)phenyl]-(3-chlorophenyl)methanone?
The canonical SMILES for [5-amino-2-(4-methylpiperidin-1-yl)phenyl]-(3-chlorophenyl)methanone is CC1CCN(c2ccc(N)cc2C(=O)c2cccc(Cl)c2)CC1.
What is the InChIKey of [5-amino-2-(4-methylpiperidin-1-yl)phenyl]-(3-chlorophenyl)methanone?
The InChIKey is AZFAWQGWIOVRAD-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21ClN2O/c1-13-7-9-22(10-8-13)18-6-5-16(21)12-17(18)19(23)14-3-2-4-15(20)11-14/h2-6,11-13H,7-10,21H2,1H3.
What are the key properties of [5-amino-2-(4-methylpiperidin-1-yl)phenyl]-(3-chlorophenyl)methanone?
[5-amino-2-(4-methylpiperidin-1-yl)phenyl]-(3-chlorophenyl)methanone has a molecular weight of 328.84 g/mol, XLogP of 4.39, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [5-amino-2-(4-methylpiperidin-1-yl)phenyl]-(3-chlorophenyl)methanone is sourced from PubChem (CID 15072449), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).