(3-amino-2-methylphenyl)-[(2S)-2-methylpiperidin-1-yl]methanone

C14H20N2O — CID 40788930

IUPAC(3-amino-2-methylphenyl)-[(2S)-2-methylpiperidin-1-yl]methanone
SMILESCc1c(N)cccc1C(=O)N1CCCC[C@@H]1C
InChIInChI=1S/C14H20N2O/c1-10-6-3-4-9-16(10)14(17)12-7-5-8-13(15)11(12)2/h5,7-8,10H,3-4,6,9,15H2,1-2H3/t10-/m0/s1
InChIKeyHPHQXUHFCSWAIG-JTQLQIEISA-N
MW232.33 g/mol
LogP2.59
Rot. Bonds1

About (3-amino-2-methylphenyl)-[(2S)-2-methylpiperidin-1-yl]methanone

(3-amino-2-methylphenyl)-[(2S)-2-methylpiperidin-1-yl]methanone (PubChem CID 40788930) has the molecular formula C14H20N2O and a molecular weight of 232.33 g/mol. Its IUPAC name is (3-amino-2-methylphenyl)-[(2S)-2-methylpiperidin-1-yl]methanone.

Molecular Properties

Compound Name(3-amino-2-methylphenyl)-[(2S)-2-methylpiperidin-1-yl]methanone
PubChem CID40788930
Molecular FormulaC14H20N2O
Molecular Weight232.33 g/mol
Exact Mass232.16
IUPAC Name(3-amino-2-methylphenyl)-[(2S)-2-methylpiperidin-1-yl]methanone
SMILESCc1c(N)cccc1C(=O)N1CCCC[C@@H]1C
InChIInChI=1S/C14H20N2O/c1-10-6-3-4-9-16(10)14(17)12-7-5-8-13(15)11(12)2/h5,7-8,10H,3-4,6,9,15H2,1-2H3/t10-/m0/s1
InChIKeyHPHQXUHFCSWAIG-JTQLQIEISA-N
XLogP2.59
TPSA46.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.33
LogP ≤ 52.59
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

[(4aR,8aR)-3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-yl]-(3-amino-2-methylphenyl)methanone
CID 102725146
(3-amino-2-methylphenyl)-[(2R)-2-(hydroxymethyl)pyrrolidin-1-yl]methanone
CID 107209984
(2-hydroxyphenyl)-(2-methylpiperidin-1-yl)methanone
CID 43186537
[(2R)-2-methylpiperidin-1-yl]-naphthalen-1-ylmethanone
CID 13185578
8-(2-methylpiperidine-1-carbonyl)naphthalene-1-carboxylic acid
CID 16772270
(3-amino-2-methylphenyl)-(2-pyridin-4-ylpyrrolidin-1-yl)methanone
CID 43575481
(3-amino-2-methylphenyl)-[2-(3-hydroxypropyl)pyrrolidin-1-yl]methanone
CID 55076498
(5-bromonaphthalen-1-yl)-(2-methylpiperidin-1-yl)methanone
CID 50849833
(3-amino-2-methylphenyl)-(4-methylazepan-1-yl)methanone
CID 55247851
(3-amino-2-pyridinyl)-(2-methylazepan-1-yl)methanone
CID 104742375
(4-amino-3-pyridinyl)-(2-methylpiperidin-1-yl)methanone;hydrochloride
CID 120607916
(4-methylphenyl)-[2-(2-methylpiperidine-1-carbonyl)phenyl]methanone
CID 112811380

Frequently Asked Questions

What is the IUPAC name of (3-amino-2-methylphenyl)-[(2S)-2-methylpiperidin-1-yl]methanone?
The IUPAC name of (3-amino-2-methylphenyl)-[(2S)-2-methylpiperidin-1-yl]methanone (CID 40788930) is (3-amino-2-methylphenyl)-[(2S)-2-methylpiperidin-1-yl]methanone.
What is the SMILES notation for (3-amino-2-methylphenyl)-[(2S)-2-methylpiperidin-1-yl]methanone?
The canonical SMILES for (3-amino-2-methylphenyl)-[(2S)-2-methylpiperidin-1-yl]methanone is Cc1c(N)cccc1C(=O)N1CCCC[C@@H]1C.
What is the InChIKey of (3-amino-2-methylphenyl)-[(2S)-2-methylpiperidin-1-yl]methanone?
The InChIKey is HPHQXUHFCSWAIG-JTQLQIEISA-N. The full InChI is InChI=1S/C14H20N2O/c1-10-6-3-4-9-16(10)14(17)12-7-5-8-13(15)11(12)2/h5,7-8,10H,3-4,6,9,15H2,1-2H3/t10-/m0/s1.
What are the key properties of (3-amino-2-methylphenyl)-[(2S)-2-methylpiperidin-1-yl]methanone?
(3-amino-2-methylphenyl)-[(2S)-2-methylpiperidin-1-yl]methanone has a molecular weight of 232.33 g/mol, XLogP of 2.59, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3-amino-2-methylphenyl)-[(2S)-2-methylpiperidin-1-yl]methanone is sourced from PubChem (CID 40788930), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).