(2,6-dihydroxyphenyl)-(2-piperidin-4-ylpyrrolidin-1-yl)methanone

C16H22N2O3 — CID 107688521

IUPAC(2,6-dihydroxyphenyl)-(2-piperidin-4-ylpyrrolidin-1-yl)methanone
SMILESO=C(c1c(O)cccc1O)N1CCCC1C1CCNCC1
InChIInChI=1S/C16H22N2O3/c19-13-4-1-5-14(20)15(13)16(21)18-10-2-3-12(18)11-6-8-17-9-7-11/h1,4-5,11-12,17,19-20H,2-3,6-10H2
InChIKeyNDQXJSZFTATGTP-UHFFFAOYSA-N
MW290.36 g/mol
LogP1.70
Rot. Bonds2

About (2,6-dihydroxyphenyl)-(2-piperidin-4-ylpyrrolidin-1-yl)methanone

(2,6-dihydroxyphenyl)-(2-piperidin-4-ylpyrrolidin-1-yl)methanone (PubChem CID 107688521) has the molecular formula C16H22N2O3 and a molecular weight of 290.36 g/mol. Its IUPAC name is (2,6-dihydroxyphenyl)-(2-piperidin-4-ylpyrrolidin-1-yl)methanone.

Molecular Properties

Compound Name(2,6-dihydroxyphenyl)-(2-piperidin-4-ylpyrrolidin-1-yl)methanone
PubChem CID107688521
Molecular FormulaC16H22N2O3
Molecular Weight290.36 g/mol
Exact Mass290.16
IUPAC Name(2,6-dihydroxyphenyl)-(2-piperidin-4-ylpyrrolidin-1-yl)methanone
SMILESO=C(c1c(O)cccc1O)N1CCCC1C1CCNCC1
InChIInChI=1S/C16H22N2O3/c19-13-4-1-5-14(20)15(13)16(21)18-10-2-3-12(18)11-6-8-17-9-7-11/h1,4-5,11-12,17,19-20H,2-3,6-10H2
InChIKeyNDQXJSZFTATGTP-UHFFFAOYSA-N
XLogP1.70
TPSA72.80 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.36
LogP ≤ 51.70
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

2,3,4,4a,5,6,7,7a-octahydropyrrolo[3,4-b]pyridin-1-yl-(2,6-dihydroxyphenyl)methanone
CID 107690450
(2-methylphenyl)-(2-piperidin-4-ylpyrrolidin-1-yl)methanone
CID 60979228
(2,6-dihydroxyphenyl)-(2-pyrrolidin-2-ylpiperidin-1-yl)methanone
CID 107690258
(2-fluorophenyl)-(2-piperidin-4-ylpyrrolidin-1-yl)methanone
CID 60978270
(2S)-2-piperidin-4-ylpyrrolidine-1-carboxylic acid
CID 134348850
phenyl-[(2R)-2-piperidin-4-ylazepan-1-yl]methanone
CID 95241507
(2,4-dimethylphenyl)-(2-piperidin-4-ylpyrrolidin-1-yl)methanone
CID 60979607
3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-yl-(3-hydroxy-2-methylphenyl)methanone
CID 82829954
2-(3-fluorophenyl)-1-[(2R)-2-piperidin-4-ylpyrrolidin-1-yl]ethanone
CID 93394778
2-(3-fluorophenyl)-1-(2-piperidin-4-ylpyrrolidin-1-yl)ethanone
CID 60979358
3-phenyl-1-[(2S)-2-piperidin-4-ylpyrrolidin-1-yl]propan-1-one
CID 93394731
(2-amino-6-methylphenyl)-(2-cyclohexylpyrrolidin-1-yl)methanone
CID 61110649

Frequently Asked Questions

What is the IUPAC name of (2,6-dihydroxyphenyl)-(2-piperidin-4-ylpyrrolidin-1-yl)methanone?
The IUPAC name of (2,6-dihydroxyphenyl)-(2-piperidin-4-ylpyrrolidin-1-yl)methanone (CID 107688521) is (2,6-dihydroxyphenyl)-(2-piperidin-4-ylpyrrolidin-1-yl)methanone.
What is the SMILES notation for (2,6-dihydroxyphenyl)-(2-piperidin-4-ylpyrrolidin-1-yl)methanone?
The canonical SMILES for (2,6-dihydroxyphenyl)-(2-piperidin-4-ylpyrrolidin-1-yl)methanone is O=C(c1c(O)cccc1O)N1CCCC1C1CCNCC1.
What is the InChIKey of (2,6-dihydroxyphenyl)-(2-piperidin-4-ylpyrrolidin-1-yl)methanone?
The InChIKey is NDQXJSZFTATGTP-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22N2O3/c19-13-4-1-5-14(20)15(13)16(21)18-10-2-3-12(18)11-6-8-17-9-7-11/h1,4-5,11-12,17,19-20H,2-3,6-10H2.
What are the key properties of (2,6-dihydroxyphenyl)-(2-piperidin-4-ylpyrrolidin-1-yl)methanone?
(2,6-dihydroxyphenyl)-(2-piperidin-4-ylpyrrolidin-1-yl)methanone has a molecular weight of 290.36 g/mol, XLogP of 1.70, 2 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2,6-dihydroxyphenyl)-(2-piperidin-4-ylpyrrolidin-1-yl)methanone is sourced from PubChem (CID 107688521), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).