(2-amino-3-methylphenyl)-(4-hydroxy-3-methylpiperidin-1-yl)methanone

C14H20N2O2 — CID 114677500

IUPAC(2-amino-3-methylphenyl)-(4-hydroxy-3-methylpiperidin-1-yl)methanone
SMILESCc1cccc(C(=O)N2CCC(O)C(C)C2)c1N
InChIInChI=1S/C14H20N2O2/c1-9-4-3-5-11(13(9)15)14(18)16-7-6-12(17)10(2)8-16/h3-5,10,12,17H,6-8,15H2,1-2H3
InChIKeyNPQZMUSYXLTJPD-UHFFFAOYSA-N
MW248.33 g/mol
LogP1.42
Rot. Bonds1

About (2-amino-3-methylphenyl)-(4-hydroxy-3-methylpiperidin-1-yl)methanone

(2-amino-3-methylphenyl)-(4-hydroxy-3-methylpiperidin-1-yl)methanone (PubChem CID 114677500) has the molecular formula C14H20N2O2 and a molecular weight of 248.33 g/mol. Its IUPAC name is (2-amino-3-methylphenyl)-(4-hydroxy-3-methylpiperidin-1-yl)methanone.

Molecular Properties

Compound Name(2-amino-3-methylphenyl)-(4-hydroxy-3-methylpiperidin-1-yl)methanone
PubChem CID114677500
Molecular FormulaC14H20N2O2
Molecular Weight248.33 g/mol
Exact Mass248.15
IUPAC Name(2-amino-3-methylphenyl)-(4-hydroxy-3-methylpiperidin-1-yl)methanone
SMILESCc1cccc(C(=O)N2CCC(O)C(C)C2)c1N
InChIInChI=1S/C14H20N2O2/c1-9-4-3-5-11(13(9)15)14(18)16-7-6-12(17)10(2)8-16/h3-5,10,12,17H,6-8,15H2,1-2H3
InChIKeyNPQZMUSYXLTJPD-UHFFFAOYSA-N
XLogP1.42
TPSA66.56 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
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'}

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Related Compounds

(2-amino-3-methylphenyl)-(3-methoxy-4-methylpiperidin-1-yl)methanone
CID 102954936
(2-amino-3-methylphenyl)-(4-sulfanylpiperidin-1-yl)methanone
CID 142233688
(2-amino-3-methylphenyl)-[3-(dimethylamino)-4-methylpyrrolidin-1-yl]methanone
CID 81458828
(2-amino-3-pyridinyl)-(4-hydroxy-3-methylpiperidin-1-yl)methanone
CID 114681656
(2-amino-3-methylphenyl)-(4-tert-butylpiperidin-1-yl)methanone
CID 62091780
(2-amino-3-methylphenyl)-[4-(hydroxymethyl)piperidin-1-yl]methanone
CID 43133107
methyl 1-(2-amino-3-methylbenzoyl)piperidine-4-carboxylate
CID 60682146
(2-chloro-3-fluorophenyl)-(4-hydroxy-3-methylpiperidin-1-yl)methanone
CID 114680247
N-[1-(2-amino-3-methylbenzoyl)piperidin-3-yl]acetamide
CID 61109681
(2-amino-3-methylphenyl)-[3-(trifluoromethyl)piperidin-1-yl]methanone
CID 60682147
(2-amino-3-methylphenyl)-[4-(methoxymethyl)piperidin-1-yl]methanone
CID 63972261
(3-amino-4-methylpiperidin-1-yl)-(2-iodo-3-methylphenyl)methanone
CID 114029419

Frequently Asked Questions

What is the IUPAC name of (2-amino-3-methylphenyl)-(4-hydroxy-3-methylpiperidin-1-yl)methanone?
The IUPAC name of (2-amino-3-methylphenyl)-(4-hydroxy-3-methylpiperidin-1-yl)methanone (CID 114677500) is (2-amino-3-methylphenyl)-(4-hydroxy-3-methylpiperidin-1-yl)methanone.
What is the SMILES notation for (2-amino-3-methylphenyl)-(4-hydroxy-3-methylpiperidin-1-yl)methanone?
The canonical SMILES for (2-amino-3-methylphenyl)-(4-hydroxy-3-methylpiperidin-1-yl)methanone is Cc1cccc(C(=O)N2CCC(O)C(C)C2)c1N.
What is the InChIKey of (2-amino-3-methylphenyl)-(4-hydroxy-3-methylpiperidin-1-yl)methanone?
The InChIKey is NPQZMUSYXLTJPD-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N2O2/c1-9-4-3-5-11(13(9)15)14(18)16-7-6-12(17)10(2)8-16/h3-5,10,12,17H,6-8,15H2,1-2H3.
What are the key properties of (2-amino-3-methylphenyl)-(4-hydroxy-3-methylpiperidin-1-yl)methanone?
(2-amino-3-methylphenyl)-(4-hydroxy-3-methylpiperidin-1-yl)methanone has a molecular weight of 248.33 g/mol, XLogP of 1.42, 1 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-hydroxy-3-methylpiperidin-1-yl)methanone is sourced from PubChem (CID 114677500), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).