1-[4-[hydroxy-(4-quinolin-8-ylphenyl)methyl]piperidin-1-yl]-2-methylpropan-1-one

C25H28N2O2 — CID 155337469

IUPAC1-[4-[hydroxy-(4-quinolin-8-ylphenyl)methyl]piperidin-1-yl]-2-methylpropan-1-one
SMILESCC(C)C(=O)N1CCC(C(O)c2ccc(-c3cccc4cccnc34)cc2)CC1
InChIInChI=1S/C25H28N2O2/c1-17(2)25(29)27-15-12-21(13-16-27)24(28)20-10-8-18(9-11-20)22-7-3-5-19-6-4-14-26-23(19)22/h3-11,14,17,21,24,28H,12-13,15-16H2,1-2H3
InChIKeyYIDQJDNSFVYWRG-UHFFFAOYSA-N
MW388.51 g/mol
LogP4.83
Rot. Bonds4

About 1-[4-[hydroxy-(4-quinolin-8-ylphenyl)methyl]piperidin-1-yl]-2-methylpropan-1-one

1-[4-[hydroxy-(4-quinolin-8-ylphenyl)methyl]piperidin-1-yl]-2-methylpropan-1-one (PubChem CID 155337469) has the molecular formula C25H28N2O2 and a molecular weight of 388.51 g/mol. Its IUPAC name is 1-[4-[hydroxy-(4-quinolin-8-ylphenyl)methyl]piperidin-1-yl]-2-methylpropan-1-one.

Molecular Properties

Compound Name1-[4-[hydroxy-(4-quinolin-8-ylphenyl)methyl]piperidin-1-yl]-2-methylpropan-1-one
PubChem CID155337469
Molecular FormulaC25H28N2O2
Molecular Weight388.51 g/mol
Exact Mass388.22
IUPAC Name1-[4-[hydroxy-(4-quinolin-8-ylphenyl)methyl]piperidin-1-yl]-2-methylpropan-1-one
SMILESCC(C)C(=O)N1CCC(C(O)c2ccc(-c3cccc4cccnc34)cc2)CC1
InChIInChI=1S/C25H28N2O2/c1-17(2)25(29)27-15-12-21(13-16-27)24(28)20-10-8-18(9-11-20)22-7-3-5-19-6-4-14-26-23(19)22/h3-11,14,17,21,24,28H,12-13,15-16H2,1-2H3
InChIKeyYIDQJDNSFVYWRG-UHFFFAOYSA-N
XLogP4.83
TPSA53.43 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500388.51
LogP ≤ 54.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-[4-[hydroxy-(4-quinolin-8-ylphenyl)methyl]piperidin-1-yl]-2-methylpropan-1-one?
The IUPAC name of 1-[4-[hydroxy-(4-quinolin-8-ylphenyl)methyl]piperidin-1-yl]-2-methylpropan-1-one (CID 155337469) is 1-[4-[hydroxy-(4-quinolin-8-ylphenyl)methyl]piperidin-1-yl]-2-methylpropan-1-one.
What is the SMILES notation for 1-[4-[hydroxy-(4-quinolin-8-ylphenyl)methyl]piperidin-1-yl]-2-methylpropan-1-one?
The canonical SMILES for 1-[4-[hydroxy-(4-quinolin-8-ylphenyl)methyl]piperidin-1-yl]-2-methylpropan-1-one is CC(C)C(=O)N1CCC(C(O)c2ccc(-c3cccc4cccnc34)cc2)CC1.
What is the InChIKey of 1-[4-[hydroxy-(4-quinolin-8-ylphenyl)methyl]piperidin-1-yl]-2-methylpropan-1-one?
The InChIKey is YIDQJDNSFVYWRG-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H28N2O2/c1-17(2)25(29)27-15-12-21(13-16-27)24(28)20-10-8-18(9-11-20)22-7-3-5-19-6-4-14-26-23(19)22/h3-11,14,17,21,24,28H,12-13,15-16H2,1-2H3.
What are the key properties of 1-[4-[hydroxy-(4-quinolin-8-ylphenyl)methyl]piperidin-1-yl]-2-methylpropan-1-one?
1-[4-[hydroxy-(4-quinolin-8-ylphenyl)methyl]piperidin-1-yl]-2-methylpropan-1-one has a molecular weight of 388.51 g/mol, XLogP of 4.83, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-[hydroxy-(4-quinolin-8-ylphenyl)methyl]piperidin-1-yl]-2-methylpropan-1-one is sourced from PubChem (CID 155337469), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).