(2-amino-4-chlorophenyl)-[(2S,6S)-2,6-dimethylpiperidin-1-yl]methanone

C14H19ClN2O — CID 28690158

IUPAC(2-amino-4-chlorophenyl)-[(2S,6S)-2,6-dimethylpiperidin-1-yl]methanone
SMILESC[C@H]1CCC[C@H](C)N1C(=O)c1ccc(Cl)cc1N
InChIInChI=1S/C14H19ClN2O/c1-9-4-3-5-10(2)17(9)14(18)12-7-6-11(15)8-13(12)16/h6-10H,3-5,16H2,1-2H3/t9-,10-/m0/s1
InChIKeyLXWCXFXQPYQZFV-UWVGGRQHSA-N
MW266.77 g/mol
LogP3.33
Rot. Bonds1

About (2-amino-4-chlorophenyl)-[(2S,6S)-2,6-dimethylpiperidin-1-yl]methanone

(2-amino-4-chlorophenyl)-[(2S,6S)-2,6-dimethylpiperidin-1-yl]methanone (PubChem CID 28690158) has the molecular formula C14H19ClN2O and a molecular weight of 266.77 g/mol. Its IUPAC name is (2-amino-4-chlorophenyl)-[(2S,6S)-2,6-dimethylpiperidin-1-yl]methanone.

Molecular Properties

Compound Name(2-amino-4-chlorophenyl)-[(2S,6S)-2,6-dimethylpiperidin-1-yl]methanone
PubChem CID28690158
Molecular FormulaC14H19ClN2O
Molecular Weight266.77 g/mol
Exact Mass266.12
IUPAC Name(2-amino-4-chlorophenyl)-[(2S,6S)-2,6-dimethylpiperidin-1-yl]methanone
SMILESC[C@H]1CCC[C@H](C)N1C(=O)c1ccc(Cl)cc1N
InChIInChI=1S/C14H19ClN2O/c1-9-4-3-5-10(2)17(9)14(18)12-7-6-11(15)8-13(12)16/h6-10H,3-5,16H2,1-2H3/t9-,10-/m0/s1
InChIKeyLXWCXFXQPYQZFV-UWVGGRQHSA-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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Related Compounds

(2-amino-4-chlorophenyl)-[(2R,6R)-2,6-dimethylpiperidin-1-yl]methanone
CID 28690156
3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl-(2-amino-4-chlorophenyl)methanone
CID 115558668
(3-amino-2-chlorophenyl)-[(2S,6R)-2,6-dimethylpiperidin-1-yl]methanone
CID 104966919
(2-chloro-4-methylphenyl)-[(2S,6R)-2,6-dimethylpiperidin-1-yl]methanone
CID 885739
(2-amino-4,5-dimethoxyphenyl)-(2,6-dimethylpiperidin-1-yl)methanone
CID 16782848
(2-amino-4,5-dimethoxyphenyl)-[(2S,6S)-2,6-dimethylpiperidin-1-yl]methanone
CID 28689862
(2-chloro-4,5-difluorophenyl)-(2,6-dimethylpiperidin-1-yl)methanone
CID 600139
(2-amino-4-chlorophenyl)-(4-aminopiperidin-1-yl)methanone
CID 110464956
1-(2-amino-4-chlorophenyl)-2-cyclobutylethanone
CID 65458104
N-[4-chloro-2-[(2S,6S)-2,6-dimethylpiperidine-1-carbonyl]phenyl]-2-methoxyacetamide
CID 95931919
(2,6-dimethylpiperidin-1-yl)-[2-fluoro-4-(3-hydroxyprop-1-ynyl)phenyl]methanone
CID 60816431
(3,6-dichloro-1-benzothiophen-2-yl)-[(2S,6S)-2,6-dimethylpiperidin-1-yl]methanone
CID 831513

Frequently Asked Questions

What is the IUPAC name of (2-amino-4-chlorophenyl)-[(2S,6S)-2,6-dimethylpiperidin-1-yl]methanone?
The IUPAC name of (2-amino-4-chlorophenyl)-[(2S,6S)-2,6-dimethylpiperidin-1-yl]methanone (CID 28690158) is (2-amino-4-chlorophenyl)-[(2S,6S)-2,6-dimethylpiperidin-1-yl]methanone.
What is the SMILES notation for (2-amino-4-chlorophenyl)-[(2S,6S)-2,6-dimethylpiperidin-1-yl]methanone?
The canonical SMILES for (2-amino-4-chlorophenyl)-[(2S,6S)-2,6-dimethylpiperidin-1-yl]methanone is C[C@H]1CCC[C@H](C)N1C(=O)c1ccc(Cl)cc1N.
What is the InChIKey of (2-amino-4-chlorophenyl)-[(2S,6S)-2,6-dimethylpiperidin-1-yl]methanone?
The InChIKey is LXWCXFXQPYQZFV-UWVGGRQHSA-N. The full InChI is InChI=1S/C14H19ClN2O/c1-9-4-3-5-10(2)17(9)14(18)12-7-6-11(15)8-13(12)16/h6-10H,3-5,16H2,1-2H3/t9-,10-/m0/s1.
What are the key properties of (2-amino-4-chlorophenyl)-[(2S,6S)-2,6-dimethylpiperidin-1-yl]methanone?
(2-amino-4-chlorophenyl)-[(2S,6S)-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-4-chlorophenyl)-[(2S,6S)-2,6-dimethylpiperidin-1-yl]methanone is sourced from PubChem (CID 28690158), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).