(4-benzylpiperidin-1-yl)-(2,5-dihydroxyphenyl)methanone

C19H21NO3 — CID 166451739

IUPAC(4-benzylpiperidin-1-yl)-(2,5-dihydroxyphenyl)methanone
SMILESO=C(c1cc(O)ccc1O)N1CCC(Cc2ccccc2)CC1
InChIInChI=1S/C19H21NO3/c21-16-6-7-18(22)17(13-16)19(23)20-10-8-15(9-11-20)12-14-4-2-1-3-5-14/h1-7,13,15,21-22H,8-12H2
InChIKeyJZHQXGCSSCQWRT-UHFFFAOYSA-N
MW311.38 g/mol
LogP3.19
Rot. Bonds3

About (4-benzylpiperidin-1-yl)-(2,5-dihydroxyphenyl)methanone

(4-benzylpiperidin-1-yl)-(2,5-dihydroxyphenyl)methanone (PubChem CID 166451739) has the molecular formula C19H21NO3 and a molecular weight of 311.38 g/mol. Its IUPAC name is (4-benzylpiperidin-1-yl)-(2,5-dihydroxyphenyl)methanone.

Molecular Properties

Compound Name(4-benzylpiperidin-1-yl)-(2,5-dihydroxyphenyl)methanone
PubChem CID166451739
Molecular FormulaC19H21NO3
Molecular Weight311.38 g/mol
Exact Mass311.15
IUPAC Name(4-benzylpiperidin-1-yl)-(2,5-dihydroxyphenyl)methanone
SMILESO=C(c1cc(O)ccc1O)N1CCC(Cc2ccccc2)CC1
InChIInChI=1S/C19H21NO3/c21-16-6-7-18(22)17(13-16)19(23)20-10-8-15(9-11-20)12-14-4-2-1-3-5-14/h1-7,13,15,21-22H,8-12H2
InChIKeyJZHQXGCSSCQWRT-UHFFFAOYSA-N
XLogP3.19
TPSA60.77 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.38
LogP ≤ 53.19
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

(4-benzylpiperidin-1-yl)-phenylmethanone
CID 796596
(2,5-dihydroxyphenyl)-[4-(methylamino)piperidin-1-yl]methanone
CID 107721207
(4-benzylpiperidin-1-yl)-(2-bromo-5-methoxyphenyl)methanone
CID 27553728
(4-benzylpiperidin-1-yl)-[4-[(E)-2-(3,4-dihydroxyphenyl)ethenyl]phenyl]methanone
CID 25213358
(2,5-dihydroxyphenyl)-[(3R)-3-hydroxypyrrolidin-1-yl]methanone
CID 103892642
(3-amino-2-methylphenyl)-(4-benzylpiperidin-1-yl)methanone
CID 28723214
1-(4-benzylpiperidin-1-yl)-2-[4-(4-hydroxyphenyl)piperazin-1-yl]ethanone
CID 8004165
(4-benzylpiperidin-1-yl)-(2,3,5,6-tetrafluoro-4-hydroxyphenyl)methanone;ethane;sulfane
CID 159975613
(4-benzylpiperidin-1-yl)-(1H-indol-4-yl)methanone
CID 112828614
3-[1-(2-hydroxybenzoyl)piperidin-4-yl]propanoic acid
CID 62216443
3-[1-(2,4-dihydroxybenzoyl)piperidin-4-yl]propanoic acid
CID 62218166
N-[2-(4-benzylpiperidine-1-carbonyl)phenyl]-4-methylbenzamide
CID 577225

Frequently Asked Questions

What is the IUPAC name of (4-benzylpiperidin-1-yl)-(2,5-dihydroxyphenyl)methanone?
The IUPAC name of (4-benzylpiperidin-1-yl)-(2,5-dihydroxyphenyl)methanone (CID 166451739) is (4-benzylpiperidin-1-yl)-(2,5-dihydroxyphenyl)methanone.
What is the SMILES notation for (4-benzylpiperidin-1-yl)-(2,5-dihydroxyphenyl)methanone?
The canonical SMILES for (4-benzylpiperidin-1-yl)-(2,5-dihydroxyphenyl)methanone is O=C(c1cc(O)ccc1O)N1CCC(Cc2ccccc2)CC1.
What is the InChIKey of (4-benzylpiperidin-1-yl)-(2,5-dihydroxyphenyl)methanone?
The InChIKey is JZHQXGCSSCQWRT-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21NO3/c21-16-6-7-18(22)17(13-16)19(23)20-10-8-15(9-11-20)12-14-4-2-1-3-5-14/h1-7,13,15,21-22H,8-12H2.
What are the key properties of (4-benzylpiperidin-1-yl)-(2,5-dihydroxyphenyl)methanone?
(4-benzylpiperidin-1-yl)-(2,5-dihydroxyphenyl)methanone has a molecular weight of 311.38 g/mol, XLogP of 3.19, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (4-benzylpiperidin-1-yl)-(2,5-dihydroxyphenyl)methanone is sourced from PubChem (CID 166451739), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).