4-[2-(2-methyl-4-phenyl-5-propan-2-ylpiperazin-1-yl)ethoxy]phenol

C22H30N2O2 — CID 57001844

IUPAC4-[2-(2-methyl-4-phenyl-5-propan-2-ylpiperazin-1-yl)ethoxy]phenol
SMILESCC(C)C1CN(CCOc2ccc(O)cc2)C(C)CN1c1ccccc1
InChIInChI=1S/C22H30N2O2/c1-17(2)22-16-23(13-14-26-21-11-9-20(25)10-12-21)18(3)15-24(22)19-7-5-4-6-8-19/h4-12,17-18,22,25H,13-16H2,1-3H3
InChIKeyMAMWYBAWYVQLGU-UHFFFAOYSA-N
MW354.49 g/mol
LogP4.01
Rot. Bonds6

About 4-[2-(2-methyl-4-phenyl-5-propan-2-ylpiperazin-1-yl)ethoxy]phenol

4-[2-(2-methyl-4-phenyl-5-propan-2-ylpiperazin-1-yl)ethoxy]phenol (PubChem CID 57001844) has the molecular formula C22H30N2O2 and a molecular weight of 354.49 g/mol. Its IUPAC name is 4-[2-(2-methyl-4-phenyl-5-propan-2-ylpiperazin-1-yl)ethoxy]phenol.

Molecular Properties

Compound Name4-[2-(2-methyl-4-phenyl-5-propan-2-ylpiperazin-1-yl)ethoxy]phenol
PubChem CID57001844
Molecular FormulaC22H30N2O2
Molecular Weight354.49 g/mol
Exact Mass354.23
IUPAC Name4-[2-(2-methyl-4-phenyl-5-propan-2-ylpiperazin-1-yl)ethoxy]phenol
SMILESCC(C)C1CN(CCOc2ccc(O)cc2)C(C)CN1c1ccccc1
InChIInChI=1S/C22H30N2O2/c1-17(2)22-16-23(13-14-26-21-11-9-20(25)10-12-21)18(3)15-24(22)19-7-5-4-6-8-19/h4-12,17-18,22,25H,13-16H2,1-3H3
InChIKeyMAMWYBAWYVQLGU-UHFFFAOYSA-N
XLogP4.01
TPSA35.94 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.49
LogP ≤ 54.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(2R)-2-methyl-1-(2-phenoxyethyl)aziridine
CID 122210723
4-[2-[2-[chloro(phenyl)methyl]piperidin-1-yl]ethoxy]phenol
CID 67700079
(3S,6R)-6-methyl-1-(2-phenoxyethyl)piperidine-3-carboxamide
CID 95342008
4-[5-(4-hydroxyphenoxy)-3-methylpentoxy]phenol
CID 20548958
2,4-dimethyl-1-[2-(4-methylphenoxy)ethyl]pyrrolidine
CID 142818530
5-ethyl-1-phenyl-2-propan-2-ylpiperazine
CID 64930277
4-[2-[4-(1-naphthalen-2-ylethyl)piperidin-1-yl]ethoxy]phenol
CID 70081398
1-[2-(4-bromophenoxy)ethyl]-7-methyl-3-propan-2-yl-1,4-diazepane
CID 64870356
4-[2-(4-benzylpiperidin-1-yl)ethoxy]phenol
CID 10086803
5-ethyl-1-(3-phenoxypropyl)-2-propan-2-ylpiperazine
CID 64842706
1,4-dibutoxybenzene;phenol
CID 174756360
ethane;(2S)-2-[4-[2-(2-methylpyrrolidin-1-yl)ethoxy]phenyl]-2,3-dihydro-1,4-benzoxathiin-6-ol;phenol
CID 142819090

Frequently Asked Questions

What is the IUPAC name of 4-[2-(2-methyl-4-phenyl-5-propan-2-ylpiperazin-1-yl)ethoxy]phenol?
The IUPAC name of 4-[2-(2-methyl-4-phenyl-5-propan-2-ylpiperazin-1-yl)ethoxy]phenol (CID 57001844) is 4-[2-(2-methyl-4-phenyl-5-propan-2-ylpiperazin-1-yl)ethoxy]phenol.
What is the SMILES notation for 4-[2-(2-methyl-4-phenyl-5-propan-2-ylpiperazin-1-yl)ethoxy]phenol?
The canonical SMILES for 4-[2-(2-methyl-4-phenyl-5-propan-2-ylpiperazin-1-yl)ethoxy]phenol is CC(C)C1CN(CCOc2ccc(O)cc2)C(C)CN1c1ccccc1.
What is the InChIKey of 4-[2-(2-methyl-4-phenyl-5-propan-2-ylpiperazin-1-yl)ethoxy]phenol?
The InChIKey is MAMWYBAWYVQLGU-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H30N2O2/c1-17(2)22-16-23(13-14-26-21-11-9-20(25)10-12-21)18(3)15-24(22)19-7-5-4-6-8-19/h4-12,17-18,22,25H,13-16H2,1-3H3.
What are the key properties of 4-[2-(2-methyl-4-phenyl-5-propan-2-ylpiperazin-1-yl)ethoxy]phenol?
4-[2-(2-methyl-4-phenyl-5-propan-2-ylpiperazin-1-yl)ethoxy]phenol has a molecular weight of 354.49 g/mol, XLogP of 4.01, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-(2-methyl-4-phenyl-5-propan-2-ylpiperazin-1-yl)ethoxy]phenol is sourced from PubChem (CID 57001844), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).