(2-amino-5-hydroxyphenyl)-(4-methylpiperidin-1-yl)methanone

C13H18N2O2 — CID 107073666

IUPAC(2-amino-5-hydroxyphenyl)-(4-methylpiperidin-1-yl)methanone
SMILESCC1CCN(C(=O)c2cc(O)ccc2N)CC1
InChIInChI=1S/C13H18N2O2/c1-9-4-6-15(7-5-9)13(17)11-8-10(16)2-3-12(11)14/h2-3,8-9,16H,4-7,14H2,1H3
InChIKeyPKLCVWGQIHPPIP-UHFFFAOYSA-N
MW234.30 g/mol
LogP1.85
Rot. Bonds1

About (2-amino-5-hydroxyphenyl)-(4-methylpiperidin-1-yl)methanone

(2-amino-5-hydroxyphenyl)-(4-methylpiperidin-1-yl)methanone (PubChem CID 107073666) has the molecular formula C13H18N2O2 and a molecular weight of 234.30 g/mol. Its IUPAC name is (2-amino-5-hydroxyphenyl)-(4-methylpiperidin-1-yl)methanone.

Molecular Properties

Compound Name(2-amino-5-hydroxyphenyl)-(4-methylpiperidin-1-yl)methanone
PubChem CID107073666
Molecular FormulaC13H18N2O2
Molecular Weight234.30 g/mol
Exact Mass234.14
IUPAC Name(2-amino-5-hydroxyphenyl)-(4-methylpiperidin-1-yl)methanone
SMILESCC1CCN(C(=O)c2cc(O)ccc2N)CC1
InChIInChI=1S/C13H18N2O2/c1-9-4-6-15(7-5-9)13(17)11-8-10(16)2-3-12(11)14/h2-3,8-9,16H,4-7,14H2,1H3
InChIKeyPKLCVWGQIHPPIP-UHFFFAOYSA-N
XLogP1.85
TPSA66.56 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.30
LogP ≤ 51.85
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

(2-amino-5-hydroxyphenyl)-(3,4-dimethylpiperidin-1-yl)methanone
CID 102739317
(2-amino-5-chlorophenyl)-(4-methylpiperidin-1-yl)methanone
CID 16772124
(2-amino-4-bromo-5-fluorophenyl)-(4-methylpiperidin-1-yl)methanone
CID 114278145
(2-amino-5-hydroxyphenyl)-[4-(2-hydroxyethoxy)piperidin-1-yl]methanone
CID 107075819
(2-chloro-5-hydroxyphenyl)-(3-methylpyrrolidin-1-yl)methanone
CID 106501471
(2-amino-5-hydroxyphenyl)-(4,4-diethylpiperidin-1-yl)methanone
CID 107075240
(2-amino-5-hydroxyphenyl)-[4-(2-methylpropyl)piperazin-1-yl]methanone
CID 107074618
[2,5-dibromo-4-(4-methylpiperidine-1-carbonyl)phenyl]-(4-methylpiperidin-1-yl)methanone
CID 30478701
[1-(2-aminobenzoyl)piperidin-4-yl]-(4-methylpiperidin-1-yl)methanone
CID 119944801
(2-amino-5-hydroxyphenyl)-(4-methyl-3,6-dihydro-2H-pyridin-1-yl)methanone
CID 102739357
2-[4-(2-amino-5-hydroxybenzoyl)piperazin-1-yl]-N-methylacetamide
CID 107074633
(2-amino-5-hydroxyphenyl)-(3-ethoxypiperidin-1-yl)methanone
CID 107074957

Frequently Asked Questions

What is the IUPAC name of (2-amino-5-hydroxyphenyl)-(4-methylpiperidin-1-yl)methanone?
The IUPAC name of (2-amino-5-hydroxyphenyl)-(4-methylpiperidin-1-yl)methanone (CID 107073666) is (2-amino-5-hydroxyphenyl)-(4-methylpiperidin-1-yl)methanone.
What is the SMILES notation for (2-amino-5-hydroxyphenyl)-(4-methylpiperidin-1-yl)methanone?
The canonical SMILES for (2-amino-5-hydroxyphenyl)-(4-methylpiperidin-1-yl)methanone is CC1CCN(C(=O)c2cc(O)ccc2N)CC1.
What is the InChIKey of (2-amino-5-hydroxyphenyl)-(4-methylpiperidin-1-yl)methanone?
The InChIKey is PKLCVWGQIHPPIP-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18N2O2/c1-9-4-6-15(7-5-9)13(17)11-8-10(16)2-3-12(11)14/h2-3,8-9,16H,4-7,14H2,1H3.
What are the key properties of (2-amino-5-hydroxyphenyl)-(4-methylpiperidin-1-yl)methanone?
(2-amino-5-hydroxyphenyl)-(4-methylpiperidin-1-yl)methanone has a molecular weight of 234.30 g/mol, XLogP of 1.85, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2-amino-5-hydroxyphenyl)-(4-methylpiperidin-1-yl)methanone is sourced from PubChem (CID 107073666), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).