(2-amino-3-methylphenyl)-[4-(hydroxymethyl)piperidin-1-yl]methanone

C14H20N2O2 — CID 43133107

IUPAC(2-amino-3-methylphenyl)-[4-(hydroxymethyl)piperidin-1-yl]methanone
SMILESCc1cccc(C(=O)N2CCC(CO)CC2)c1N
InChIInChI=1S/C14H20N2O2/c1-10-3-2-4-12(13(10)15)14(18)16-7-5-11(9-17)6-8-16/h2-4,11,17H,5-9,15H2,1H3
InChIKeyMVWSFTICJRGWDK-UHFFFAOYSA-N
MW248.33 g/mol
LogP1.42
Rot. Bonds2

About (2-amino-3-methylphenyl)-[4-(hydroxymethyl)piperidin-1-yl]methanone

(2-amino-3-methylphenyl)-[4-(hydroxymethyl)piperidin-1-yl]methanone (PubChem CID 43133107) has the molecular formula C14H20N2O2 and a molecular weight of 248.33 g/mol. Its IUPAC name is (2-amino-3-methylphenyl)-[4-(hydroxymethyl)piperidin-1-yl]methanone.

Molecular Properties

Compound Name(2-amino-3-methylphenyl)-[4-(hydroxymethyl)piperidin-1-yl]methanone
PubChem CID43133107
Molecular FormulaC14H20N2O2
Molecular Weight248.33 g/mol
Exact Mass248.15
IUPAC Name(2-amino-3-methylphenyl)-[4-(hydroxymethyl)piperidin-1-yl]methanone
SMILESCc1cccc(C(=O)N2CCC(CO)CC2)c1N
InChIInChI=1S/C14H20N2O2/c1-10-3-2-4-12(13(10)15)14(18)16-7-5-11(9-17)6-8-16/h2-4,11,17H,5-9,15H2,1H3
InChIKeyMVWSFTICJRGWDK-UHFFFAOYSA-N
XLogP1.42
TPSA66.56 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.33
LogP ≤ 51.42
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze (2-amino-3-methylphenyl)-[4-(hydroxymethyl)piperidin-1-yl]methanone with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(2-amino-3-methylphenyl)-[4-(methoxymethyl)piperidin-1-yl]methanone
CID 63972261
(2-bromo-3-methylphenyl)-[4-(hydroxymethyl)piperidin-1-yl]methanone
CID 113339336
(2-amino-3-methylphenyl)-(4-sulfanylpiperidin-1-yl)methanone
CID 142233688
(2-amino-3-methylphenyl)-(4-tert-butylpiperidin-1-yl)methanone
CID 62091780
methyl 1-(2-amino-3-methylbenzoyl)piperidine-4-carboxylate
CID 60682146
(2-amino-3-methylphenyl)-(4-hydroxy-3-methylpiperidin-1-yl)methanone
CID 114677500
(2-amino-3-fluorophenyl)-[3-(hydroxymethyl)pyrrolidin-1-yl]methanone
CID 112625110
(2-amino-3-methylphenyl)-(3-methoxy-4-methylpiperidin-1-yl)methanone
CID 102954936
(2-amino-3-fluorophenyl)-(4-ethylpiperidin-1-yl)methanone
CID 62662648
(2-amino-3-methylphenyl)-(3-azaspiro[5.5]undecan-3-yl)methanone
CID 62936838
(4-aminopiperidin-1-yl)-(2-methylphenyl)methanone;hydrochloride
CID 119372796
(2-chloro-4,5-dimethylphenyl)-[4-(hydroxymethyl)piperidin-1-yl]methanone
CID 110028121

Frequently Asked Questions

What is the IUPAC name of (2-amino-3-methylphenyl)-[4-(hydroxymethyl)piperidin-1-yl]methanone?
The IUPAC name of (2-amino-3-methylphenyl)-[4-(hydroxymethyl)piperidin-1-yl]methanone (CID 43133107) is (2-amino-3-methylphenyl)-[4-(hydroxymethyl)piperidin-1-yl]methanone.
What is the SMILES notation for (2-amino-3-methylphenyl)-[4-(hydroxymethyl)piperidin-1-yl]methanone?
The canonical SMILES for (2-amino-3-methylphenyl)-[4-(hydroxymethyl)piperidin-1-yl]methanone is Cc1cccc(C(=O)N2CCC(CO)CC2)c1N.
What is the InChIKey of (2-amino-3-methylphenyl)-[4-(hydroxymethyl)piperidin-1-yl]methanone?
The InChIKey is MVWSFTICJRGWDK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N2O2/c1-10-3-2-4-12(13(10)15)14(18)16-7-5-11(9-17)6-8-16/h2-4,11,17H,5-9,15H2,1H3.
What are the key properties of (2-amino-3-methylphenyl)-[4-(hydroxymethyl)piperidin-1-yl]methanone?
(2-amino-3-methylphenyl)-[4-(hydroxymethyl)piperidin-1-yl]methanone has a molecular weight of 248.33 g/mol, XLogP of 1.42, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2-amino-3-methylphenyl)-[4-(hydroxymethyl)piperidin-1-yl]methanone is sourced from PubChem (CID 43133107), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).