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

C15H24N2O — CID 113323158

IUPAC4-[2-(3,5-dimethylpiperazin-1-yl)propyl]phenol
SMILESCC1CN(C(C)Cc2ccc(O)cc2)CC(C)N1
InChIInChI=1S/C15H24N2O/c1-11-9-17(10-12(2)16-11)13(3)8-14-4-6-15(18)7-5-14/h4-7,11-13,16,18H,8-10H2,1-3H3
InChIKeyNYONBMXDBSFGEB-UHFFFAOYSA-N
MW248.37 g/mol
LogP2.01
Rot. Bonds3

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

4-[2-(3,5-dimethylpiperazin-1-yl)propyl]phenol (PubChem CID 113323158) has the molecular formula C15H24N2O and a molecular weight of 248.37 g/mol. Its IUPAC name is 4-[2-(3,5-dimethylpiperazin-1-yl)propyl]phenol.

Molecular Properties

Compound Name4-[2-(3,5-dimethylpiperazin-1-yl)propyl]phenol
PubChem CID113323158
Molecular FormulaC15H24N2O
Molecular Weight248.37 g/mol
Exact Mass248.19
IUPAC Name4-[2-(3,5-dimethylpiperazin-1-yl)propyl]phenol
SMILESCC1CN(C(C)Cc2ccc(O)cc2)CC(C)N1
InChIInChI=1S/C15H24N2O/c1-11-9-17(10-12(2)16-11)13(3)8-14-4-6-15(18)7-5-14/h4-7,11-13,16,18H,8-10H2,1-3H3
InChIKeyNYONBMXDBSFGEB-UHFFFAOYSA-N
XLogP2.01
TPSA35.50 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.37
LogP ≤ 52.01
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 4-[2-(3,5-dimethylpiperazin-1-yl)propyl]phenol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

4-[2-(3,4,5-trimethylpiperazin-1-yl)propyl]phenol
CID 114541108
4-[2-(4-amino-3-methylpiperidin-1-yl)propyl]phenol
CID 113323165
4-[2-[3-(dimethylamino)piperidin-1-yl]propyl]phenol
CID 82983896
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
4-[2-(2,5-dimethylmorpholin-4-yl)propyl]phenol
CID 82977941
(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
4-[2-[5-(aminomethyl)-2-methylpiperidin-1-yl]propyl]phenol
CID 115496098

Frequently Asked Questions

What is the IUPAC name of 4-[2-(3,5-dimethylpiperazin-1-yl)propyl]phenol?
The IUPAC name of 4-[2-(3,5-dimethylpiperazin-1-yl)propyl]phenol (CID 113323158) is 4-[2-(3,5-dimethylpiperazin-1-yl)propyl]phenol.
What is the SMILES notation for 4-[2-(3,5-dimethylpiperazin-1-yl)propyl]phenol?
The canonical SMILES for 4-[2-(3,5-dimethylpiperazin-1-yl)propyl]phenol is CC1CN(C(C)Cc2ccc(O)cc2)CC(C)N1.
What is the InChIKey of 4-[2-(3,5-dimethylpiperazin-1-yl)propyl]phenol?
The InChIKey is NYONBMXDBSFGEB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24N2O/c1-11-9-17(10-12(2)16-11)13(3)8-14-4-6-15(18)7-5-14/h4-7,11-13,16,18H,8-10H2,1-3H3.
What are the key properties of 4-[2-(3,5-dimethylpiperazin-1-yl)propyl]phenol?
4-[2-(3,5-dimethylpiperazin-1-yl)propyl]phenol has a molecular weight of 248.37 g/mol, XLogP of 2.01, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-(3,5-dimethylpiperazin-1-yl)propyl]phenol is sourced from PubChem (CID 113323158), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).