(2-amino-5-chlorophenyl)-(2,3-dimethylpiperidin-1-yl)methanone

C14H19ClN2O — CID 62123342

IUPAC(2-amino-5-chlorophenyl)-(2,3-dimethylpiperidin-1-yl)methanone
SMILESCC1CCCN(C(=O)c2cc(Cl)ccc2N)C1C
InChIInChI=1S/C14H19ClN2O/c1-9-4-3-7-17(10(9)2)14(18)12-8-11(15)5-6-13(12)16/h5-6,8-10H,3-4,7,16H2,1-2H3
InChIKeyYPIBYNGEOQTDCO-UHFFFAOYSA-N
MW266.77 g/mol
LogP3.18
Rot. Bonds1

About (2-amino-5-chlorophenyl)-(2,3-dimethylpiperidin-1-yl)methanone

(2-amino-5-chlorophenyl)-(2,3-dimethylpiperidin-1-yl)methanone (PubChem CID 62123342) has the molecular formula C14H19ClN2O and a molecular weight of 266.77 g/mol. Its IUPAC name is (2-amino-5-chlorophenyl)-(2,3-dimethylpiperidin-1-yl)methanone.

Molecular Properties

Compound Name(2-amino-5-chlorophenyl)-(2,3-dimethylpiperidin-1-yl)methanone
PubChem CID62123342
Molecular FormulaC14H19ClN2O
Molecular Weight266.77 g/mol
Exact Mass266.12
IUPAC Name(2-amino-5-chlorophenyl)-(2,3-dimethylpiperidin-1-yl)methanone
SMILESCC1CCCN(C(=O)c2cc(Cl)ccc2N)C1C
InChIInChI=1S/C14H19ClN2O/c1-9-4-3-7-17(10(9)2)14(18)12-8-11(15)5-6-13(12)16/h5-6,8-10H,3-4,7,16H2,1-2H3
InChIKeyYPIBYNGEOQTDCO-UHFFFAOYSA-N
XLogP3.18
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 ≤ 53.18
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-5-methoxyphenyl)-(2,3-dimethylpiperidin-1-yl)methanone
CID 62124769
(4-amino-3-methylphenyl)-(2,3-dimethylpiperidin-1-yl)methanone
CID 62123341
(5-amino-2-bromophenyl)-(2,3-dimethylpiperidin-1-yl)methanone
CID 62122988
(6-amino-1,3-benzodioxol-5-yl)-(2,3-dimethylpiperidin-1-yl)methanone
CID 103543065
(2-amino-5-chlorophenyl)-(4-methylpiperidin-1-yl)methanone
CID 16772124
4-chloro-3-(2,3-dimethylpiperidine-1-carbonyl)benzenesulfonyl chloride
CID 65397198
(5-chloro-2-fluorophenyl)-(2-methylpyrrolidin-1-yl)methanone
CID 61146717
(2-amino-5-chlorophenyl)-[(3S)-3-hydroxypiperidin-1-yl]methanone
CID 107211689
(5-bromo-2-methylphenyl)-(2,3-dimethylpiperidin-1-yl)methanone
CID 65309438
(3-chloro-4-pyridinyl)-(2,3-dimethylpiperidin-1-yl)methanone
CID 66482590
4-chloro-2-[(2,3-dimethylpiperidine-1-carbonyl)amino]benzoic acid
CID 62123101
(2,3-dimethylpiperidin-1-yl)-[2-fluoro-5-(3-hydroxyprop-1-ynyl)phenyl]methanone
CID 62124180

Frequently Asked Questions

What is the IUPAC name of (2-amino-5-chlorophenyl)-(2,3-dimethylpiperidin-1-yl)methanone?
The IUPAC name of (2-amino-5-chlorophenyl)-(2,3-dimethylpiperidin-1-yl)methanone (CID 62123342) is (2-amino-5-chlorophenyl)-(2,3-dimethylpiperidin-1-yl)methanone.
What is the SMILES notation for (2-amino-5-chlorophenyl)-(2,3-dimethylpiperidin-1-yl)methanone?
The canonical SMILES for (2-amino-5-chlorophenyl)-(2,3-dimethylpiperidin-1-yl)methanone is CC1CCCN(C(=O)c2cc(Cl)ccc2N)C1C.
What is the InChIKey of (2-amino-5-chlorophenyl)-(2,3-dimethylpiperidin-1-yl)methanone?
The InChIKey is YPIBYNGEOQTDCO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19ClN2O/c1-9-4-3-7-17(10(9)2)14(18)12-8-11(15)5-6-13(12)16/h5-6,8-10H,3-4,7,16H2,1-2H3.
What are the key properties of (2-amino-5-chlorophenyl)-(2,3-dimethylpiperidin-1-yl)methanone?
(2-amino-5-chlorophenyl)-(2,3-dimethylpiperidin-1-yl)methanone has a molecular weight of 266.77 g/mol, XLogP of 3.18, 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)-(2,3-dimethylpiperidin-1-yl)methanone is sourced from PubChem (CID 62123342), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).