(2-amino-5-chlorophenyl)-(2,6-dimethylpiperidin-1-yl)methanone

C14H19ClN2O — CID 16784167

IUPAC(2-amino-5-chlorophenyl)-(2,6-dimethylpiperidin-1-yl)methanone
SMILESCC1CCCC(C)N1C(=O)c1cc(Cl)ccc1N
InChIInChI=1S/C14H19ClN2O/c1-9-4-3-5-10(2)17(9)14(18)12-8-11(15)6-7-13(12)16/h6-10H,3-5,16H2,1-2H3
InChIKeyNLBAGVYULQARLP-UHFFFAOYSA-N
MW266.77 g/mol
LogP3.33
Rot. Bonds1

About (2-amino-5-chlorophenyl)-(2,6-dimethylpiperidin-1-yl)methanone

(2-amino-5-chlorophenyl)-(2,6-dimethylpiperidin-1-yl)methanone (PubChem CID 16784167) has the molecular formula C14H19ClN2O and a molecular weight of 266.77 g/mol. Its IUPAC name is (2-amino-5-chlorophenyl)-(2,6-dimethylpiperidin-1-yl)methanone.

Molecular Properties

Compound Name(2-amino-5-chlorophenyl)-(2,6-dimethylpiperidin-1-yl)methanone
PubChem CID16784167
Molecular FormulaC14H19ClN2O
Molecular Weight266.77 g/mol
Exact Mass266.12
IUPAC Name(2-amino-5-chlorophenyl)-(2,6-dimethylpiperidin-1-yl)methanone
SMILESCC1CCCC(C)N1C(=O)c1cc(Cl)ccc1N
InChIInChI=1S/C14H19ClN2O/c1-9-4-3-5-10(2)17(9)14(18)12-8-11(15)6-7-13(12)16/h6-10H,3-5,16H2,1-2H3
InChIKeyNLBAGVYULQARLP-UHFFFAOYSA-N
XLogP3.33
TPSA46.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.77
LogP ≤ 53.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (2-amino-5-chlorophenyl)-(2,6-dimethylpiperidin-1-yl)methanone?
The IUPAC name of (2-amino-5-chlorophenyl)-(2,6-dimethylpiperidin-1-yl)methanone (CID 16784167) is (2-amino-5-chlorophenyl)-(2,6-dimethylpiperidin-1-yl)methanone.
What is the SMILES notation for (2-amino-5-chlorophenyl)-(2,6-dimethylpiperidin-1-yl)methanone?
The canonical SMILES for (2-amino-5-chlorophenyl)-(2,6-dimethylpiperidin-1-yl)methanone is CC1CCCC(C)N1C(=O)c1cc(Cl)ccc1N.
What is the InChIKey of (2-amino-5-chlorophenyl)-(2,6-dimethylpiperidin-1-yl)methanone?
The InChIKey is NLBAGVYULQARLP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19ClN2O/c1-9-4-3-5-10(2)17(9)14(18)12-8-11(15)6-7-13(12)16/h6-10H,3-5,16H2,1-2H3.
What are the key properties of (2-amino-5-chlorophenyl)-(2,6-dimethylpiperidin-1-yl)methanone?
(2-amino-5-chlorophenyl)-(2,6-dimethylpiperidin-1-yl)methanone has a molecular weight of 266.77 g/mol, XLogP of 3.33, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2-amino-5-chlorophenyl)-(2,6-dimethylpiperidin-1-yl)methanone is sourced from PubChem (CID 16784167), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).