1-[[1-[2-hydroxy-2-(4-methylphenyl)ethyl]piperidin-4-yl]methyl]piperidin-2-one

C20H30N2O2 — CID 111496583

IUPAC1-[[1-[2-hydroxy-2-(4-methylphenyl)ethyl]piperidin-4-yl]methyl]piperidin-2-one
SMILESCc1ccc(C(O)CN2CCC(CN3CCCCC3=O)CC2)cc1
InChIInChI=1S/C20H30N2O2/c1-16-5-7-18(8-6-16)19(23)15-21-12-9-17(10-13-21)14-22-11-3-2-4-20(22)24/h5-8,17,19,23H,2-4,9-15H2,1H3
InChIKeyBCDQOSZLYDEFQC-UHFFFAOYSA-N
MW330.47 g/mol
LogP2.75
Rot. Bonds5

About 1-[[1-[2-hydroxy-2-(4-methylphenyl)ethyl]piperidin-4-yl]methyl]piperidin-2-one

1-[[1-[2-hydroxy-2-(4-methylphenyl)ethyl]piperidin-4-yl]methyl]piperidin-2-one (PubChem CID 111496583) has the molecular formula C20H30N2O2 and a molecular weight of 330.47 g/mol. Its IUPAC name is 1-[[1-[2-hydroxy-2-(4-methylphenyl)ethyl]piperidin-4-yl]methyl]piperidin-2-one.

Molecular Properties

Compound Name1-[[1-[2-hydroxy-2-(4-methylphenyl)ethyl]piperidin-4-yl]methyl]piperidin-2-one
PubChem CID111496583
Molecular FormulaC20H30N2O2
Molecular Weight330.47 g/mol
Exact Mass330.23
IUPAC Name1-[[1-[2-hydroxy-2-(4-methylphenyl)ethyl]piperidin-4-yl]methyl]piperidin-2-one
SMILESCc1ccc(C(O)CN2CCC(CN3CCCCC3=O)CC2)cc1
InChIInChI=1S/C20H30N2O2/c1-16-5-7-18(8-6-16)19(23)15-21-12-9-17(10-13-21)14-22-11-3-2-4-20(22)24/h5-8,17,19,23H,2-4,9-15H2,1H3
InChIKeyBCDQOSZLYDEFQC-UHFFFAOYSA-N
XLogP2.75
TPSA43.78 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.47
LogP ≤ 52.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-[[1-[2-(2-fluorophenyl)-2-hydroxyethyl]piperidin-4-yl]methyl]piperidin-2-one
CID 111496584
1-[[1-(2-hydroxy-2-methylpropyl)piperidin-4-yl]methyl]piperidin-2-one
CID 111496581
2-(aziridin-1-yl)-1-(4-methylphenyl)ethanol
CID 82125221
1-[2-[[1-[(2S)-2-hydroxy-2-phenylethyl]piperidin-4-yl]methylamino]ethyl]pyrrolidin-2-one
CID 95607291
methyl 3-[1-[2-hydroxy-2-(4-methylphenyl)ethyl]piperidin-4-yl]propanoate
CID 111974949
(2R)-2-hydroxy-2-[1-[(2R)-2-hydroxy-2-(4-methylphenyl)ethyl]piperidin-4-yl]acetamide
CID 129489844
1-(4-methylphenyl)-2-[3-(morpholin-4-ylmethyl)pyrrolidin-1-yl]ethanol
CID 111488276
tert-butyl N-[[1-[2-hydroxy-2-(4-methylphenyl)ethyl]piperidin-4-yl]methyl]carbamate
CID 111496308
1-[[1-(piperidin-4-ylmethyl)piperidin-4-yl]methyl]piperidin-2-one
CID 119931911
2-(4-ethyl-1,4-diazepan-1-yl)-1-(4-methylphenyl)ethanol
CID 111476786
2-(4-ethylpiperidin-1-yl)-1-(4-propan-2-ylphenyl)ethanol
CID 60970237
1-[4-[2-hydroxy-2-(4-methylphenyl)ethyl]piperazin-1-yl]-2,2-dimethylpropan-1-one
CID 111476546

Frequently Asked Questions

What is the IUPAC name of 1-[[1-[2-hydroxy-2-(4-methylphenyl)ethyl]piperidin-4-yl]methyl]piperidin-2-one?
The IUPAC name of 1-[[1-[2-hydroxy-2-(4-methylphenyl)ethyl]piperidin-4-yl]methyl]piperidin-2-one (CID 111496583) is 1-[[1-[2-hydroxy-2-(4-methylphenyl)ethyl]piperidin-4-yl]methyl]piperidin-2-one.
What is the SMILES notation for 1-[[1-[2-hydroxy-2-(4-methylphenyl)ethyl]piperidin-4-yl]methyl]piperidin-2-one?
The canonical SMILES for 1-[[1-[2-hydroxy-2-(4-methylphenyl)ethyl]piperidin-4-yl]methyl]piperidin-2-one is Cc1ccc(C(O)CN2CCC(CN3CCCCC3=O)CC2)cc1.
What is the InChIKey of 1-[[1-[2-hydroxy-2-(4-methylphenyl)ethyl]piperidin-4-yl]methyl]piperidin-2-one?
The InChIKey is BCDQOSZLYDEFQC-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H30N2O2/c1-16-5-7-18(8-6-16)19(23)15-21-12-9-17(10-13-21)14-22-11-3-2-4-20(22)24/h5-8,17,19,23H,2-4,9-15H2,1H3.
What are the key properties of 1-[[1-[2-hydroxy-2-(4-methylphenyl)ethyl]piperidin-4-yl]methyl]piperidin-2-one?
1-[[1-[2-hydroxy-2-(4-methylphenyl)ethyl]piperidin-4-yl]methyl]piperidin-2-one has a molecular weight of 330.47 g/mol, XLogP of 2.75, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[1-[2-hydroxy-2-(4-methylphenyl)ethyl]piperidin-4-yl]methyl]piperidin-2-one is sourced from PubChem (CID 111496583), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).