4-(2-methyl-1-piperazin-1-ylpropyl)phenol

C14H22N2O — CID 83841714

IUPAC4-(2-methyl-1-piperazin-1-ylpropyl)phenol
SMILESCC(C)C(c1ccc(O)cc1)N1CCNCC1
InChIInChI=1S/C14H22N2O/c1-11(2)14(16-9-7-15-8-10-16)12-3-5-13(17)6-4-12/h3-6,11,14-15,17H,7-10H2,1-2H3
InChIKeyVXQKWSACFCFWJV-UHFFFAOYSA-N
MW234.34 g/mol
LogP1.99
Rot. Bonds3

About 4-(2-methyl-1-piperazin-1-ylpropyl)phenol

4-(2-methyl-1-piperazin-1-ylpropyl)phenol (PubChem CID 83841714) has the molecular formula C14H22N2O and a molecular weight of 234.34 g/mol. Its IUPAC name is 4-(2-methyl-1-piperazin-1-ylpropyl)phenol.

Molecular Properties

Compound Name4-(2-methyl-1-piperazin-1-ylpropyl)phenol
PubChem CID83841714
Molecular FormulaC14H22N2O
Molecular Weight234.34 g/mol
Exact Mass234.17
IUPAC Name4-(2-methyl-1-piperazin-1-ylpropyl)phenol
SMILESCC(C)C(c1ccc(O)cc1)N1CCNCC1
InChIInChI=1S/C14H22N2O/c1-11(2)14(16-9-7-15-8-10-16)12-3-5-13(17)6-4-12/h3-6,11,14-15,17H,7-10H2,1-2H3
InChIKeyVXQKWSACFCFWJV-UHFFFAOYSA-N
XLogP1.99
TPSA35.50 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.34
LogP ≤ 51.99
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

4-[(1R)-2-methyl-1-piperazin-1-ylbutyl]phenol;dihydrochloride
CID 171304229
4-(1-hydroxy-2-piperazin-1-ylpropyl)phenol
CID 82263328
4-[1-(1,4-diazepan-1-yl)ethyl]phenol
CID 61057495
1-[2-methyl-1-(1H-pyrrol-3-yl)propyl]piperazine
CID 82283605
4-[(1S)-1-piperazin-1-ylprop-2-enyl]phenol
CID 131631160
1-[(1R)-2,2-difluoro-1-(4-methylphenyl)ethyl]piperazine;dihydrochloride
CID 171281539
1-[(1S)-2,2-difluoro-1-(4-fluorophenyl)ethyl]piperazine;dihydrochloride
CID 171285864
4-[(1R)-3-hydroxy-1-piperazin-1-ylpropyl]phenol
CID 171188975
1-[(1S)-2,2-difluoro-1-(4-methylsulfanylphenyl)ethyl]piperazine
CID 171294567
1-[(1S)-2,2-difluoro-1-(4-methoxyphenyl)ethyl]piperazine
CID 171287219
1-[(1R)-1-(4-ethylphenyl)-2,2-difluoroethyl]piperazine
CID 171281145
4-[(R)-cyclobutyl(piperazin-1-yl)methyl]phenol
CID 171285182

Frequently Asked Questions

What is the IUPAC name of 4-(2-methyl-1-piperazin-1-ylpropyl)phenol?
The IUPAC name of 4-(2-methyl-1-piperazin-1-ylpropyl)phenol (CID 83841714) is 4-(2-methyl-1-piperazin-1-ylpropyl)phenol.
What is the SMILES notation for 4-(2-methyl-1-piperazin-1-ylpropyl)phenol?
The canonical SMILES for 4-(2-methyl-1-piperazin-1-ylpropyl)phenol is CC(C)C(c1ccc(O)cc1)N1CCNCC1.
What is the InChIKey of 4-(2-methyl-1-piperazin-1-ylpropyl)phenol?
The InChIKey is VXQKWSACFCFWJV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N2O/c1-11(2)14(16-9-7-15-8-10-16)12-3-5-13(17)6-4-12/h3-6,11,14-15,17H,7-10H2,1-2H3.
What are the key properties of 4-(2-methyl-1-piperazin-1-ylpropyl)phenol?
4-(2-methyl-1-piperazin-1-ylpropyl)phenol has a molecular weight of 234.34 g/mol, XLogP of 1.99, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-methyl-1-piperazin-1-ylpropyl)phenol is sourced from PubChem (CID 83841714), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).