[4-hydroxy-3,5-di(propan-2-yl)phenyl]-(4-methylpiperazin-1-yl)methanone

C18H28N2O2 — CID 118195533

IUPAC[4-hydroxy-3,5-di(propan-2-yl)phenyl]-(4-methylpiperazin-1-yl)methanone
SMILESCC(C)c1cc(C(=O)N2CCN(C)CC2)cc(C(C)C)c1O
InChIInChI=1S/C18H28N2O2/c1-12(2)15-10-14(11-16(13(3)4)17(15)21)18(22)20-8-6-19(5)7-9-20/h10-13,21H,6-9H2,1-5H3
InChIKeyYDNXGGTZJCJAMG-UHFFFAOYSA-N
MW304.43 g/mol
LogP3.03
Rot. Bonds3

About [4-hydroxy-3,5-di(propan-2-yl)phenyl]-(4-methylpiperazin-1-yl)methanone

[4-hydroxy-3,5-di(propan-2-yl)phenyl]-(4-methylpiperazin-1-yl)methanone (PubChem CID 118195533) has the molecular formula C18H28N2O2 and a molecular weight of 304.43 g/mol. Its IUPAC name is [4-hydroxy-3,5-di(propan-2-yl)phenyl]-(4-methylpiperazin-1-yl)methanone.

Molecular Properties

Compound Name[4-hydroxy-3,5-di(propan-2-yl)phenyl]-(4-methylpiperazin-1-yl)methanone
PubChem CID118195533
Molecular FormulaC18H28N2O2
Molecular Weight304.43 g/mol
Exact Mass304.22
IUPAC Name[4-hydroxy-3,5-di(propan-2-yl)phenyl]-(4-methylpiperazin-1-yl)methanone
SMILESCC(C)c1cc(C(=O)N2CCN(C)CC2)cc(C(C)C)c1O
InChIInChI=1S/C18H28N2O2/c1-12(2)15-10-14(11-16(13(3)4)17(15)21)18(22)20-8-6-19(5)7-9-20/h10-13,21H,6-9H2,1-5H3
InChIKeyYDNXGGTZJCJAMG-UHFFFAOYSA-N
XLogP3.03
TPSA43.78 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.43
LogP ≤ 53.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze [4-hydroxy-3,5-di(propan-2-yl)phenyl]-(4-methylpiperazin-1-yl)methanone with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-Tert-butyl-4-(1,3-dihydro-2H-isoindol-2-ylcarbonyl)phenol
CID 11955465
[4-hydroxy-3,5-di(propan-2-yl)phenyl]-[(2R)-2-methylmorpholin-4-yl]methanone
CID 118195560
(3-Fluoroazetidin-1-yl)-[4-hydroxy-3,5-di(propan-2-yl)phenyl]methanone
CID 118195567
[4-Hydroxy-3,5-di(propan-2-yl)phenyl]-(2-oxa-6-azaspiro[3.3]heptan-6-yl)methanone
CID 118195581
N,3,5-tritert-butyl-4-hydroxybenzamide
CID 1203452
(4-Hydroxyphenyl)(4-methylpiperazin-1-yl)methanone
CID 4740811
1-{3-[(Diethylamino)methyl]-4-hydroxyphenyl}ethan-1-one hydrochloride
CID 9551996
[3-(1,1-Dimethylethyl)-4-hydroxyphenyl]-4-morpholinylmethanone
CID 46861554
2-Allyl-4-(1-piperidinylcarbonyl)phenol
CID 889929
1-[4-(3,5-Ditert-butyl-4-hydroxybenzoyl)piperazin-1-yl]-6,6-bis(4-fluorophenyl)hexan-1-one
CID 10438617
[4-[6,6-Bis(4-fluorophenyl)hexyl]piperazin-1-yl]-(3,5-ditert-butyl-4-hydroxyphenyl)methanone
CID 10483558
1,3-Dihydroisoindol-2-yl-(4-hydroxy-3-propan-2-ylphenyl)methanone
CID 11955466

Frequently Asked Questions

What is the IUPAC name of [4-hydroxy-3,5-di(propan-2-yl)phenyl]-(4-methylpiperazin-1-yl)methanone?
The IUPAC name of [4-hydroxy-3,5-di(propan-2-yl)phenyl]-(4-methylpiperazin-1-yl)methanone (CID 118195533) is [4-hydroxy-3,5-di(propan-2-yl)phenyl]-(4-methylpiperazin-1-yl)methanone.
What is the SMILES notation for [4-hydroxy-3,5-di(propan-2-yl)phenyl]-(4-methylpiperazin-1-yl)methanone?
The canonical SMILES for [4-hydroxy-3,5-di(propan-2-yl)phenyl]-(4-methylpiperazin-1-yl)methanone is CC(C)c1cc(C(=O)N2CCN(C)CC2)cc(C(C)C)c1O.
What is the InChIKey of [4-hydroxy-3,5-di(propan-2-yl)phenyl]-(4-methylpiperazin-1-yl)methanone?
The InChIKey is YDNXGGTZJCJAMG-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H28N2O2/c1-12(2)15-10-14(11-16(13(3)4)17(15)21)18(22)20-8-6-19(5)7-9-20/h10-13,21H,6-9H2,1-5H3.
What are the key properties of [4-hydroxy-3,5-di(propan-2-yl)phenyl]-(4-methylpiperazin-1-yl)methanone?
[4-hydroxy-3,5-di(propan-2-yl)phenyl]-(4-methylpiperazin-1-yl)methanone has a molecular weight of 304.43 g/mol, XLogP of 3.03, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [4-hydroxy-3,5-di(propan-2-yl)phenyl]-(4-methylpiperazin-1-yl)methanone is sourced from PubChem (CID 118195533), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).