(2-amino-5-hydroxyphenyl)-(4,4-diethylpiperidin-1-yl)methanone

C16H24N2O2 — CID 107075240

IUPAC(2-amino-5-hydroxyphenyl)-(4,4-diethylpiperidin-1-yl)methanone
SMILESCCC1(CC)CCN(C(=O)c2cc(O)ccc2N)CC1
InChIInChI=1S/C16H24N2O2/c1-3-16(4-2)7-9-18(10-8-16)15(20)13-11-12(19)5-6-14(13)17/h5-6,11,19H,3-4,7-10,17H2,1-2H3
InChIKeyGYLLNTWOIIBIQH-UHFFFAOYSA-N
MW276.38 g/mol
LogP3.02
Rot. Bonds3

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

(2-amino-5-hydroxyphenyl)-(4,4-diethylpiperidin-1-yl)methanone (PubChem CID 107075240) has the molecular formula C16H24N2O2 and a molecular weight of 276.38 g/mol. Its IUPAC name is (2-amino-5-hydroxyphenyl)-(4,4-diethylpiperidin-1-yl)methanone.

Molecular Properties

Compound Name(2-amino-5-hydroxyphenyl)-(4,4-diethylpiperidin-1-yl)methanone
PubChem CID107075240
Molecular FormulaC16H24N2O2
Molecular Weight276.38 g/mol
Exact Mass276.18
IUPAC Name(2-amino-5-hydroxyphenyl)-(4,4-diethylpiperidin-1-yl)methanone
SMILESCCC1(CC)CCN(C(=O)c2cc(O)ccc2N)CC1
InChIInChI=1S/C16H24N2O2/c1-3-16(4-2)7-9-18(10-8-16)15(20)13-11-12(19)5-6-14(13)17/h5-6,11,19H,3-4,7-10,17H2,1-2H3
InChIKeyGYLLNTWOIIBIQH-UHFFFAOYSA-N
XLogP3.02
TPSA66.56 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.38
LogP ≤ 53.02
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

8-Hydroxybentazon
CID 92362
6-Hydroxybentazon
CID 92361
Formyl-5-hydroxykynurenamine
CID 440743
2-[4-(4-Fluoro-benzyl)-piperidine-1-carbonyl]-6-hydroxy-1H-quinolin-4-one
CID 11509163
6-hydroxy-2-[4-(4-methyl-benzyl)-piperidine-1-carbonyl]-1H-quinolin-4-one
CID 11538083
2-(4-Benzyl-piperidine-1-carbonyl)-6-hydroxy-1H-quinolin-4-one
CID 11653435
4-[4-(2,2-dimethylpropanoyl)piperazin-1-yl]-N-(4-hydroxyphenyl)benzamide
CID 44564914
2-[[2-[4-(4-hydroxyphenyl)piperazin-1-yl]acetyl]amino]-N-(2-phenylethyl)benzamide
CID 16326078
2-[(3S)-3-(4-aminobutyl)-7-hydroxy-2,5-dioxo-1,3-dihydro-1,4-benzodiazepin-4-yl]-N-tert-butyl-2-cyclopropylacetamide
CID 45489263
N-[2-(1-benzylpiperidin-4-yl)ethyl]-6-hydroxy-4-oxo-1H-quinoline-2-carboxamide
CID 145994271
6-hydroxy-2-methyl-3-[(2E,6E)-3,7,11-trimethyldodeca-2,6,10-trienyl]-1H-quinolin-4-one
CID 168285298
2-(3-hydroxyphenyl)-1,3-dimethyl-2H-quinazolin-4-one
CID 3121404

Frequently Asked Questions

What is the IUPAC name of (2-amino-5-hydroxyphenyl)-(4,4-diethylpiperidin-1-yl)methanone?
The IUPAC name of (2-amino-5-hydroxyphenyl)-(4,4-diethylpiperidin-1-yl)methanone (CID 107075240) is (2-amino-5-hydroxyphenyl)-(4,4-diethylpiperidin-1-yl)methanone.
What is the SMILES notation for (2-amino-5-hydroxyphenyl)-(4,4-diethylpiperidin-1-yl)methanone?
The canonical SMILES for (2-amino-5-hydroxyphenyl)-(4,4-diethylpiperidin-1-yl)methanone is CCC1(CC)CCN(C(=O)c2cc(O)ccc2N)CC1.
What is the InChIKey of (2-amino-5-hydroxyphenyl)-(4,4-diethylpiperidin-1-yl)methanone?
The InChIKey is GYLLNTWOIIBIQH-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24N2O2/c1-3-16(4-2)7-9-18(10-8-16)15(20)13-11-12(19)5-6-14(13)17/h5-6,11,19H,3-4,7-10,17H2,1-2H3.
What are the key properties of (2-amino-5-hydroxyphenyl)-(4,4-diethylpiperidin-1-yl)methanone?
(2-amino-5-hydroxyphenyl)-(4,4-diethylpiperidin-1-yl)methanone has a molecular weight of 276.38 g/mol, XLogP of 3.02, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2-amino-5-hydroxyphenyl)-(4,4-diethylpiperidin-1-yl)methanone is sourced from PubChem (CID 107075240), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).