4-[2-(3,4,5-trimethylpiperazin-1-yl)propyl]phenol

C16H26N2O — CID 114541108

IUPAC4-[2-(3,4,5-trimethylpiperazin-1-yl)propyl]phenol
SMILESCC(Cc1ccc(O)cc1)N1CC(C)N(C)C(C)C1
InChIInChI=1S/C16H26N2O/c1-12(9-15-5-7-16(19)8-6-15)18-10-13(2)17(4)14(3)11-18/h5-8,12-14,19H,9-11H2,1-4H3
InChIKeyWYILCNQYYWVXJQ-UHFFFAOYSA-N
MW262.40 g/mol
LogP2.35
Rot. Bonds3

About 4-[2-(3,4,5-trimethylpiperazin-1-yl)propyl]phenol

4-[2-(3,4,5-trimethylpiperazin-1-yl)propyl]phenol (PubChem CID 114541108) has the molecular formula C16H26N2O and a molecular weight of 262.40 g/mol. Its IUPAC name is 4-[2-(3,4,5-trimethylpiperazin-1-yl)propyl]phenol.

Molecular Properties

Compound Name4-[2-(3,4,5-trimethylpiperazin-1-yl)propyl]phenol
PubChem CID114541108
Molecular FormulaC16H26N2O
Molecular Weight262.40 g/mol
Exact Mass262.20
IUPAC Name4-[2-(3,4,5-trimethylpiperazin-1-yl)propyl]phenol
SMILESCC(Cc1ccc(O)cc1)N1CC(C)N(C)C(C)C1
InChIInChI=1S/C16H26N2O/c1-12(9-15-5-7-16(19)8-6-15)18-10-13(2)17(4)14(3)11-18/h5-8,12-14,19H,9-11H2,1-4H3
InChIKeyWYILCNQYYWVXJQ-UHFFFAOYSA-N
XLogP2.35
TPSA26.71 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.40
LogP ≤ 52.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-[2-(3,5-dimethylpiperazin-1-yl)propyl]phenol
CID 113323158
4-[2-(4-amino-3-methylpiperidin-1-yl)propyl]phenol
CID 113323165
4-[2-(2,5-dimethylmorpholin-4-yl)propyl]phenol
CID 82977941
4-[2-[3-(dimethylamino)piperidin-1-yl]propyl]phenol
CID 82983896
4-[2-[5-(aminomethyl)-2-methylpiperidin-1-yl]propyl]phenol
CID 115496098
4-[2-(1,1-dioxo-1,4-thiazinan-4-yl)propyl]phenol
CID 82976880
4-[2-[4-(2-methylpropyl)piperazin-1-yl]propyl]phenol
CID 82979763
(3aS,6aR)-2-[1-(4-hydroxyphenyl)propan-2-yl]-5-(2-phenylethyl)-1,3,3a,4,6,6a-hexahydrocyclopenta[c]pyrrol-5-ol
CID 149342515
4-[2-[3-(2-aminoethyl)piperidin-1-yl]propyl]phenol
CID 115496095
4-[2-(2-phenylmorpholin-4-yl)propyl]phenol
CID 44589190
4-[2-[4-(cyclopropylmethylamino)piperidin-1-yl]propyl]phenol
CID 115496143
4-[2-[4-[2-(methylamino)ethyl]piperidin-1-yl]propyl]phenol
CID 115496100

Frequently Asked Questions

What is the IUPAC name of 4-[2-(3,4,5-trimethylpiperazin-1-yl)propyl]phenol?
The IUPAC name of 4-[2-(3,4,5-trimethylpiperazin-1-yl)propyl]phenol (CID 114541108) is 4-[2-(3,4,5-trimethylpiperazin-1-yl)propyl]phenol.
What is the SMILES notation for 4-[2-(3,4,5-trimethylpiperazin-1-yl)propyl]phenol?
The canonical SMILES for 4-[2-(3,4,5-trimethylpiperazin-1-yl)propyl]phenol is CC(Cc1ccc(O)cc1)N1CC(C)N(C)C(C)C1.
What is the InChIKey of 4-[2-(3,4,5-trimethylpiperazin-1-yl)propyl]phenol?
The InChIKey is WYILCNQYYWVXJQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26N2O/c1-12(9-15-5-7-16(19)8-6-15)18-10-13(2)17(4)14(3)11-18/h5-8,12-14,19H,9-11H2,1-4H3.
What are the key properties of 4-[2-(3,4,5-trimethylpiperazin-1-yl)propyl]phenol?
4-[2-(3,4,5-trimethylpiperazin-1-yl)propyl]phenol has a molecular weight of 262.40 g/mol, XLogP of 2.35, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-(3,4,5-trimethylpiperazin-1-yl)propyl]phenol is sourced from PubChem (CID 114541108), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).