2-[4-[(4-propan-2-ylphenyl)methyl]piperazin-1-yl]phenol

C20H26N2O — CID 27156309

IUPAC2-[4-[(4-propan-2-ylphenyl)methyl]piperazin-1-yl]phenol
SMILESCC(C)c1ccc(CN2CCN(c3ccccc3O)CC2)cc1
InChIInChI=1S/C20H26N2O/c1-16(2)18-9-7-17(8-10-18)15-21-11-13-22(14-12-21)19-5-3-4-6-20(19)23/h3-10,16,23H,11-15H2,1-2H3
InChIKeyUXQIIKKHYQKPIX-UHFFFAOYSA-N
MW310.44 g/mol
LogP3.84
Rot. Bonds4

About 2-[4-[(4-propan-2-ylphenyl)methyl]piperazin-1-yl]phenol

2-[4-[(4-propan-2-ylphenyl)methyl]piperazin-1-yl]phenol (PubChem CID 27156309) has the molecular formula C20H26N2O and a molecular weight of 310.44 g/mol. Its IUPAC name is 2-[4-[(4-propan-2-ylphenyl)methyl]piperazin-1-yl]phenol.

Molecular Properties

Compound Name2-[4-[(4-propan-2-ylphenyl)methyl]piperazin-1-yl]phenol
PubChem CID27156309
Molecular FormulaC20H26N2O
Molecular Weight310.44 g/mol
Exact Mass310.20
IUPAC Name2-[4-[(4-propan-2-ylphenyl)methyl]piperazin-1-yl]phenol
SMILESCC(C)c1ccc(CN2CCN(c3ccccc3O)CC2)cc1
InChIInChI=1S/C20H26N2O/c1-16(2)18-9-7-17(8-10-18)15-21-11-13-22(14-12-21)19-5-3-4-6-20(19)23/h3-10,16,23H,11-15H2,1-2H3
InChIKeyUXQIIKKHYQKPIX-UHFFFAOYSA-N
XLogP3.84
TPSA26.71 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.44
LogP ≤ 53.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-[4-[(4-bromophenyl)methyl]piperazin-1-yl]phenol
CID 8529069
4-[[4-(2-hydroxyphenyl)piperazin-1-yl]methyl]benzamide
CID 25329756
1-[(4-propan-2-ylphenyl)methyl]azetidine
CID 58279197
2-[4-[[4-(trifluoromethoxy)phenyl]methyl]piperazin-1-yl]phenol
CID 23081158
1-(4-methylphenyl)-4-[(4-propan-2-ylphenyl)methyl]piperazine
CID 1375687
2-[4-benzyl-7-[[2-(hydroxymethyl)phenyl]methyl]-1,4,7-triazonan-1-yl]phenol
CID 142081994
1-(2-chloroethyl)-4-[(4-propan-2-ylphenyl)methyl]piperazine
CID 55183481
4-[[4-(2-ethoxyphenyl)piperazin-1-yl]methyl]phenol
CID 754014
2-[4-[[4-(2-hydroxyphenyl)piperazin-1-yl]methyl]phenyl]benzonitrile
CID 25343963
[2-(4-benzylpiperazin-1-yl)phenyl]methanol
CID 2741998
1-(2-methylphenyl)-4-[(4-methylphenyl)methyl]piperazine
CID 785695
2-[4-[(4-propan-2-ylphenyl)methyl]piperazin-1-yl]acetonitrile
CID 60676643

Frequently Asked Questions

What is the IUPAC name of 2-[4-[(4-propan-2-ylphenyl)methyl]piperazin-1-yl]phenol?
The IUPAC name of 2-[4-[(4-propan-2-ylphenyl)methyl]piperazin-1-yl]phenol (CID 27156309) is 2-[4-[(4-propan-2-ylphenyl)methyl]piperazin-1-yl]phenol.
What is the SMILES notation for 2-[4-[(4-propan-2-ylphenyl)methyl]piperazin-1-yl]phenol?
The canonical SMILES for 2-[4-[(4-propan-2-ylphenyl)methyl]piperazin-1-yl]phenol is CC(C)c1ccc(CN2CCN(c3ccccc3O)CC2)cc1.
What is the InChIKey of 2-[4-[(4-propan-2-ylphenyl)methyl]piperazin-1-yl]phenol?
The InChIKey is UXQIIKKHYQKPIX-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H26N2O/c1-16(2)18-9-7-17(8-10-18)15-21-11-13-22(14-12-21)19-5-3-4-6-20(19)23/h3-10,16,23H,11-15H2,1-2H3.
What are the key properties of 2-[4-[(4-propan-2-ylphenyl)methyl]piperazin-1-yl]phenol?
2-[4-[(4-propan-2-ylphenyl)methyl]piperazin-1-yl]phenol has a molecular weight of 310.44 g/mol, XLogP of 3.84, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[(4-propan-2-ylphenyl)methyl]piperazin-1-yl]phenol is sourced from PubChem (CID 27156309), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).