2-[(4-benzylpiperidin-1-yl)methyl]-3-hydroxy-6-methylpyran-4-one

C19H23NO3 — CID 53367935

IUPAC2-[(4-benzylpiperidin-1-yl)methyl]-3-hydroxy-6-methylpyran-4-one
SMILESCc1cc(=O)c(O)c(CN2CCC(Cc3ccccc3)CC2)o1
InChIInChI=1S/C19H23NO3/c1-14-11-17(21)19(22)18(23-14)13-20-9-7-16(8-10-20)12-15-5-3-2-4-6-15/h2-6,11,16,22H,7-10,12-13H2,1H3
InChIKeyGMLIDJVAUOVLEC-UHFFFAOYSA-N
MW313.40 g/mol
LogP3.11
Rot. Bonds4

About 2-[(4-benzylpiperidin-1-yl)methyl]-3-hydroxy-6-methylpyran-4-one

2-[(4-benzylpiperidin-1-yl)methyl]-3-hydroxy-6-methylpyran-4-one (PubChem CID 53367935) has the molecular formula C19H23NO3 and a molecular weight of 313.40 g/mol. Its IUPAC name is 2-[(4-benzylpiperidin-1-yl)methyl]-3-hydroxy-6-methylpyran-4-one.

Molecular Properties

Compound Name2-[(4-benzylpiperidin-1-yl)methyl]-3-hydroxy-6-methylpyran-4-one
PubChem CID53367935
Molecular FormulaC19H23NO3
Molecular Weight313.40 g/mol
Exact Mass313.17
IUPAC Name2-[(4-benzylpiperidin-1-yl)methyl]-3-hydroxy-6-methylpyran-4-one
SMILESCc1cc(=O)c(O)c(CN2CCC(Cc3ccccc3)CC2)o1
InChIInChI=1S/C19H23NO3/c1-14-11-17(21)19(22)18(23-14)13-20-9-7-16(8-10-20)12-15-5-3-2-4-6-15/h2-6,11,16,22H,7-10,12-13H2,1H3
InChIKeyGMLIDJVAUOVLEC-UHFFFAOYSA-N
XLogP3.11
TPSA53.68 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.40
LogP ≤ 53.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-[(4-benzylpiperidin-1-yl)methyl]-3-hydroxy-6-(hydroxymethyl)-4H-pyran-4-one
CID 1279742
2-({3-[2-(2,6-difluorophenyl)ethyl]-1-piperidinyl}methyl)-5-methoxy-4H-pyran-4-one
CID 56914347
2-[(4-Benzylpiperazin-1-yl)methyl]-3-hydroxy-6-methylpyran-4-one
CID 11738538
5-methoxy-2-({3-[2-(2-methylphenyl)ethyl]-1-piperidinyl}methyl)-4H-pyran-4-one
CID 56899648
2-({3-[2-(3,4-difluorophenyl)ethyl]-1-piperidinyl}methyl)-5-methoxy-4H-pyran-4-one
CID 56901329
2-({3-[2-(4-fluorophenyl)ethyl]-1-piperidinyl}methyl)-5-methoxy-4H-pyran-4-one
CID 56909309
2-({3-[2-(2-fluorophenyl)ethyl]-1-piperidinyl}methyl)-5-methoxy-4H-pyran-4-one
CID 56914558
3-Hydroxy-6-methyl-2-[(4-phenyl-1-piperidyl)methyl]pyran-4-one
CID 71591064
1-[[6-(Chloromethyl)-3-hydroxy-4-oxopyran-2-yl]methyl]-4-phenylpiperidine-4-carbonitrile
CID 71654946
6-(chloromethyl)-3-hydroxy-2-[(4-phenyl-3,6-dihydro-2H-pyridin-1-yl)methyl]pyran-4-one
CID 71654947
6-(chloromethyl)-2-[[4-(4-fluorophenyl)-3,6-dihydro-2H-pyridin-1-yl]methyl]-3-hydroxypyran-4-one
CID 71654949
2-[[4-[(4-Fluorophenyl)methyl]piperazin-1-yl]methyl]-3-hydroxy-6-methylpyran-4-one
CID 139559978

Frequently Asked Questions

What is the IUPAC name of 2-[(4-benzylpiperidin-1-yl)methyl]-3-hydroxy-6-methylpyran-4-one?
The IUPAC name of 2-[(4-benzylpiperidin-1-yl)methyl]-3-hydroxy-6-methylpyran-4-one (CID 53367935) is 2-[(4-benzylpiperidin-1-yl)methyl]-3-hydroxy-6-methylpyran-4-one.
What is the SMILES notation for 2-[(4-benzylpiperidin-1-yl)methyl]-3-hydroxy-6-methylpyran-4-one?
The canonical SMILES for 2-[(4-benzylpiperidin-1-yl)methyl]-3-hydroxy-6-methylpyran-4-one is Cc1cc(=O)c(O)c(CN2CCC(Cc3ccccc3)CC2)o1.
What is the InChIKey of 2-[(4-benzylpiperidin-1-yl)methyl]-3-hydroxy-6-methylpyran-4-one?
The InChIKey is GMLIDJVAUOVLEC-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23NO3/c1-14-11-17(21)19(22)18(23-14)13-20-9-7-16(8-10-20)12-15-5-3-2-4-6-15/h2-6,11,16,22H,7-10,12-13H2,1H3.
What are the key properties of 2-[(4-benzylpiperidin-1-yl)methyl]-3-hydroxy-6-methylpyran-4-one?
2-[(4-benzylpiperidin-1-yl)methyl]-3-hydroxy-6-methylpyran-4-one has a molecular weight of 313.40 g/mol, XLogP of 3.11, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4-benzylpiperidin-1-yl)methyl]-3-hydroxy-6-methylpyran-4-one is sourced from PubChem (CID 53367935), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).