(4-hydroxy-3-methylphenyl)-(2-piperidin-3-ylpyrrolidin-1-yl)methanone

C17H24N2O2 — CID 107675736

IUPAC(4-hydroxy-3-methylphenyl)-(2-piperidin-3-ylpyrrolidin-1-yl)methanone
SMILESCc1cc(C(=O)N2CCCC2C2CCCNC2)ccc1O
InChIInChI=1S/C17H24N2O2/c1-12-10-13(6-7-16(12)20)17(21)19-9-3-5-15(19)14-4-2-8-18-11-14/h6-7,10,14-15,18,20H,2-5,8-9,11H2,1H3
InChIKeyHRUOELSXWZSTLU-UHFFFAOYSA-N
MW288.39 g/mol
LogP2.30
Rot. Bonds2

About (4-hydroxy-3-methylphenyl)-(2-piperidin-3-ylpyrrolidin-1-yl)methanone

(4-hydroxy-3-methylphenyl)-(2-piperidin-3-ylpyrrolidin-1-yl)methanone (PubChem CID 107675736) has the molecular formula C17H24N2O2 and a molecular weight of 288.39 g/mol. Its IUPAC name is (4-hydroxy-3-methylphenyl)-(2-piperidin-3-ylpyrrolidin-1-yl)methanone.

Molecular Properties

Compound Name(4-hydroxy-3-methylphenyl)-(2-piperidin-3-ylpyrrolidin-1-yl)methanone
PubChem CID107675736
Molecular FormulaC17H24N2O2
Molecular Weight288.39 g/mol
Exact Mass288.18
IUPAC Name(4-hydroxy-3-methylphenyl)-(2-piperidin-3-ylpyrrolidin-1-yl)methanone
SMILESCc1cc(C(=O)N2CCCC2C2CCCNC2)ccc1O
InChIInChI=1S/C17H24N2O2/c1-12-10-13(6-7-16(12)20)17(21)19-9-3-5-15(19)14-4-2-8-18-11-14/h6-7,10,14-15,18,20H,2-5,8-9,11H2,1H3
InChIKeyHRUOELSXWZSTLU-UHFFFAOYSA-N
XLogP2.30
TPSA52.57 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.39
LogP ≤ 52.30
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

(2-cyclopentylpyrrolidin-1-yl)-(4-hydroxy-3-methylphenyl)methanone
CID 103951831
2,3,4,4a,5,6,7,7a-octahydropyrrolo[3,4-b]pyridin-1-yl-(4-bromo-3-methylphenyl)methanone
CID 102679430
2,3,4,4a,5,6,7,7a-octahydropyrrolo[3,4-b]pyridin-1-yl-(3-methyl-4-nitrophenyl)methanone
CID 102679498
4-(2,3,4,4a,5,6,7,8,9,9a-decahydropyrido[3,2-c]azepine-1-carbonyl)-N-tert-butylbenzenesulfonamide
CID 154762149
[(3aS,6aS)-3,3a,4,5,6,6a-hexahydro-2H-pyrrolo[2,3-c]pyrrol-1-yl]-(3,4-dimethylphenyl)methanone
CID 43594813
3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-yl-(3-chloro-4-hydroxyphenyl)methanone
CID 43422703
2,3,4,4a,5,6,7,7a-octahydropyrrolo[3,4-b]pyridin-1-yl-(3,4-dichlorophenyl)methanone
CID 102679214
1-(4-hydroxy-3-methylbenzoyl)-N,N-dimethylpiperazine-2-carboxamide
CID 107672122
(2,4-difluorophenyl)-(2-piperidin-3-ylpyrrolidin-1-yl)methanone
CID 60978149
[(4aS,9aR)-2,3,4,4a,9,9a-hexahydroindeno[2,1-b]pyridin-1-yl]-(4-hydroxy-3-methylphenyl)methanone
CID 67223770
(4-hydroxy-3-methylphenyl)-[2-(methylaminomethyl)pyrrolidin-1-yl]methanone
CID 107672250
(2-cyclopentylpyrrolidin-1-yl)-(4-hydrazinyl-3-methylphenyl)methanone
CID 63211657

Frequently Asked Questions

What is the IUPAC name of (4-hydroxy-3-methylphenyl)-(2-piperidin-3-ylpyrrolidin-1-yl)methanone?
The IUPAC name of (4-hydroxy-3-methylphenyl)-(2-piperidin-3-ylpyrrolidin-1-yl)methanone (CID 107675736) is (4-hydroxy-3-methylphenyl)-(2-piperidin-3-ylpyrrolidin-1-yl)methanone.
What is the SMILES notation for (4-hydroxy-3-methylphenyl)-(2-piperidin-3-ylpyrrolidin-1-yl)methanone?
The canonical SMILES for (4-hydroxy-3-methylphenyl)-(2-piperidin-3-ylpyrrolidin-1-yl)methanone is Cc1cc(C(=O)N2CCCC2C2CCCNC2)ccc1O.
What is the InChIKey of (4-hydroxy-3-methylphenyl)-(2-piperidin-3-ylpyrrolidin-1-yl)methanone?
The InChIKey is HRUOELSXWZSTLU-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24N2O2/c1-12-10-13(6-7-16(12)20)17(21)19-9-3-5-15(19)14-4-2-8-18-11-14/h6-7,10,14-15,18,20H,2-5,8-9,11H2,1H3.
What are the key properties of (4-hydroxy-3-methylphenyl)-(2-piperidin-3-ylpyrrolidin-1-yl)methanone?
(4-hydroxy-3-methylphenyl)-(2-piperidin-3-ylpyrrolidin-1-yl)methanone has a molecular weight of 288.39 g/mol, XLogP of 2.30, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (4-hydroxy-3-methylphenyl)-(2-piperidin-3-ylpyrrolidin-1-yl)methanone is sourced from PubChem (CID 107675736), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).