2-[1-(4-methylpiperazin-1-yl)propan-2-yl]phenol

C14H22N2O — CID 115040340

IUPAC2-[1-(4-methylpiperazin-1-yl)propan-2-yl]phenol
SMILESCC(CN1CCN(C)CC1)c1ccccc1O
InChIInChI=1S/C14H22N2O/c1-12(13-5-3-4-6-14(13)17)11-16-9-7-15(2)8-10-16/h3-6,12,17H,7-11H2,1-2H3
InChIKeyGAMKOISHUJXLJF-UHFFFAOYSA-N
MW234.34 g/mol
LogP1.74
Rot. Bonds3

About 2-[1-(4-methylpiperazin-1-yl)propan-2-yl]phenol

2-[1-(4-methylpiperazin-1-yl)propan-2-yl]phenol (PubChem CID 115040340) has the molecular formula C14H22N2O and a molecular weight of 234.34 g/mol. Its IUPAC name is 2-[1-(4-methylpiperazin-1-yl)propan-2-yl]phenol.

Molecular Properties

Compound Name2-[1-(4-methylpiperazin-1-yl)propan-2-yl]phenol
PubChem CID115040340
Molecular FormulaC14H22N2O
Molecular Weight234.34 g/mol
Exact Mass234.17
IUPAC Name2-[1-(4-methylpiperazin-1-yl)propan-2-yl]phenol
SMILESCC(CN1CCN(C)CC1)c1ccccc1O
InChIInChI=1S/C14H22N2O/c1-12(13-5-3-4-6-14(13)17)11-16-9-7-15(2)8-10-16/h3-6,12,17H,7-11H2,1-2H3
InChIKeyGAMKOISHUJXLJF-UHFFFAOYSA-N
XLogP1.74
TPSA26.71 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.34
LogP ≤ 51.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-(1-piperazin-1-ylpropan-2-yl)phenol
CID 83837907
2-[1-(4-methylpiperazin-1-yl)propan-2-yl]aniline
CID 115039830
2-[2-(4-methylpiperazin-1-yl)-1-phenylethyl]benzoic acid
CID 67612586
ethane;1-[2-(2-methylphenyl)propyl]pyrrolidine
CID 143114244
2-(1-fluoropropan-2-yl)phenol
CID 19048051
2-[2-[(4-methylpiperazin-1-yl)methyl]phenyl]propan-1-amine
CID 117372127
1-(4-methylpiperazin-1-yl)-3-phenylpropan-2-ol
CID 59799485
2-(2-hydroxyphenyl)-N-[(2S)-2-methyl-3-(4-methylpiperazin-1-yl)propyl]acetamide
CID 96570196
2-(1-aminopropan-2-yl)phenol
CID 3028046
(2R)-1-(4-methylpiperazin-1-yl)-3-[(2R)-2-phenylpropoxy]propan-2-ol
CID 7393596
3-benzyl-2-methyl-1-(4-methylpiperazin-1-yl)pentan-3-ol
CID 10149456
1-[2-(2-methylphenyl)propyl]piperazine
CID 82509211

Frequently Asked Questions

What is the IUPAC name of 2-[1-(4-methylpiperazin-1-yl)propan-2-yl]phenol?
The IUPAC name of 2-[1-(4-methylpiperazin-1-yl)propan-2-yl]phenol (CID 115040340) is 2-[1-(4-methylpiperazin-1-yl)propan-2-yl]phenol.
What is the SMILES notation for 2-[1-(4-methylpiperazin-1-yl)propan-2-yl]phenol?
The canonical SMILES for 2-[1-(4-methylpiperazin-1-yl)propan-2-yl]phenol is CC(CN1CCN(C)CC1)c1ccccc1O.
What is the InChIKey of 2-[1-(4-methylpiperazin-1-yl)propan-2-yl]phenol?
The InChIKey is GAMKOISHUJXLJF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N2O/c1-12(13-5-3-4-6-14(13)17)11-16-9-7-15(2)8-10-16/h3-6,12,17H,7-11H2,1-2H3.
What are the key properties of 2-[1-(4-methylpiperazin-1-yl)propan-2-yl]phenol?
2-[1-(4-methylpiperazin-1-yl)propan-2-yl]phenol has a molecular weight of 234.34 g/mol, XLogP of 1.74, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-(4-methylpiperazin-1-yl)propan-2-yl]phenol is sourced from PubChem (CID 115040340), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).