(4-benzylphenyl)-(3,4-dihydroxypiperidin-1-yl)methanone

C19H21NO3 — CID 171558301

IUPAC(4-benzylphenyl)-(3,4-dihydroxypiperidin-1-yl)methanone
SMILESO=C(c1ccc(Cc2ccccc2)cc1)N1CCC(O)C(O)C1
InChIInChI=1S/C19H21NO3/c21-17-10-11-20(13-18(17)22)19(23)16-8-6-15(7-9-16)12-14-4-2-1-3-5-14/h1-9,17-18,21-22H,10-13H2
InChIKeyXNUHUHUHPUBJSJ-UHFFFAOYSA-N
MW311.38 g/mol
LogP1.85
Rot. Bonds3

About (4-benzylphenyl)-(3,4-dihydroxypiperidin-1-yl)methanone

(4-benzylphenyl)-(3,4-dihydroxypiperidin-1-yl)methanone (PubChem CID 171558301) has the molecular formula C19H21NO3 and a molecular weight of 311.38 g/mol. Its IUPAC name is (4-benzylphenyl)-(3,4-dihydroxypiperidin-1-yl)methanone.

Molecular Properties

Compound Name(4-benzylphenyl)-(3,4-dihydroxypiperidin-1-yl)methanone
PubChem CID171558301
Molecular FormulaC19H21NO3
Molecular Weight311.38 g/mol
Exact Mass311.15
IUPAC Name(4-benzylphenyl)-(3,4-dihydroxypiperidin-1-yl)methanone
SMILESO=C(c1ccc(Cc2ccccc2)cc1)N1CCC(O)C(O)C1
InChIInChI=1S/C19H21NO3/c21-17-10-11-20(13-18(17)22)19(23)16-8-6-15(7-9-16)12-14-4-2-1-3-5-14/h1-9,17-18,21-22H,10-13H2
InChIKeyXNUHUHUHPUBJSJ-UHFFFAOYSA-N
XLogP1.85
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 ≤ 51.85
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

(4-benzylphenyl)-[(3S)-3-pyrrolidin-1-ylpyrrolidin-1-yl]methanone
CID 25031425
4-[4-(4-benzylphenyl)piperazine-1-carbonyl]benzoic acid
CID 2051572
[4-(hydroxymethyl)phenyl]-[(3R)-3-hydroxypyrrolidin-1-yl]methanone
CID 66261496
[3-(aminomethyl)pyrrolidin-1-yl]-(4-phenylphenyl)methanone
CID 119486906
(4-benzylpiperidin-1-yl)-phenylmethanone
CID 796596
(3-benzylpyrrolidin-1-yl)-[4-(methylsulfonylmethyl)phenyl]methanone
CID 136527673
[(3S,4S)-3,4-dihydroxypiperidin-1-yl]-(2-ethylphenyl)methanone
CID 56887256
[4-(aminomethyl)phenyl]-(4-phenoxypiperidin-1-yl)methanone;hydrochloride
CID 119290330
[4-[(4-benzylpiperazin-1-yl)methyl]phenyl]-(4-methylpiperidin-1-yl)methanone
CID 126191918
(3S)-1-benzoylpyrrolidine-3-carboxylic acid
CID 92614961
[4-(aminomethyl)phenyl]-(4-phenylmethoxypiperidin-1-yl)methanone;hydrochloride
CID 119275315
(3R)-1-[4-(phenoxymethyl)benzoyl]pyrrolidine-3-carboxylic acid
CID 125135118

Frequently Asked Questions

What is the IUPAC name of (4-benzylphenyl)-(3,4-dihydroxypiperidin-1-yl)methanone?
The IUPAC name of (4-benzylphenyl)-(3,4-dihydroxypiperidin-1-yl)methanone (CID 171558301) is (4-benzylphenyl)-(3,4-dihydroxypiperidin-1-yl)methanone.
What is the SMILES notation for (4-benzylphenyl)-(3,4-dihydroxypiperidin-1-yl)methanone?
The canonical SMILES for (4-benzylphenyl)-(3,4-dihydroxypiperidin-1-yl)methanone is O=C(c1ccc(Cc2ccccc2)cc1)N1CCC(O)C(O)C1.
What is the InChIKey of (4-benzylphenyl)-(3,4-dihydroxypiperidin-1-yl)methanone?
The InChIKey is XNUHUHUHPUBJSJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21NO3/c21-17-10-11-20(13-18(17)22)19(23)16-8-6-15(7-9-16)12-14-4-2-1-3-5-14/h1-9,17-18,21-22H,10-13H2.
What are the key properties of (4-benzylphenyl)-(3,4-dihydroxypiperidin-1-yl)methanone?
(4-benzylphenyl)-(3,4-dihydroxypiperidin-1-yl)methanone has a molecular weight of 311.38 g/mol, XLogP of 1.85, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (4-benzylphenyl)-(3,4-dihydroxypiperidin-1-yl)methanone is sourced from PubChem (CID 171558301), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).