2-(3,4-dimethylpiperazin-1-yl)-1-(4-propylphenyl)ethanol

C17H28N2O — CID 63635565

IUPAC2-(3,4-dimethylpiperazin-1-yl)-1-(4-propylphenyl)ethanol
SMILESCCCc1ccc(C(O)CN2CCN(C)C(C)C2)cc1
InChIInChI=1S/C17H28N2O/c1-4-5-15-6-8-16(9-7-15)17(20)13-19-11-10-18(3)14(2)12-19/h6-9,14,17,20H,4-5,10-13H2,1-3H3
InChIKeyDPBYZKGLATUBGY-UHFFFAOYSA-N
MW276.42 g/mol
LogP2.31
Rot. Bonds5

About 2-(3,4-dimethylpiperazin-1-yl)-1-(4-propylphenyl)ethanol

2-(3,4-dimethylpiperazin-1-yl)-1-(4-propylphenyl)ethanol (PubChem CID 63635565) has the molecular formula C17H28N2O and a molecular weight of 276.42 g/mol. Its IUPAC name is 2-(3,4-dimethylpiperazin-1-yl)-1-(4-propylphenyl)ethanol.

Molecular Properties

Compound Name2-(3,4-dimethylpiperazin-1-yl)-1-(4-propylphenyl)ethanol
PubChem CID63635565
Molecular FormulaC17H28N2O
Molecular Weight276.42 g/mol
Exact Mass276.22
IUPAC Name2-(3,4-dimethylpiperazin-1-yl)-1-(4-propylphenyl)ethanol
SMILESCCCc1ccc(C(O)CN2CCN(C)C(C)C2)cc1
InChIInChI=1S/C17H28N2O/c1-4-5-15-6-8-16(9-7-15)17(20)13-19-11-10-18(3)14(2)12-19/h6-9,14,17,20H,4-5,10-13H2,1-3H3
InChIKeyDPBYZKGLATUBGY-UHFFFAOYSA-N
XLogP2.31
TPSA26.71 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.42
LogP ≤ 52.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(4-propylphenyl)-2-(3,4,5-trimethylpiperazin-1-yl)ethanol
CID 114539064
2-(3,4-dimethylpiperazin-1-yl)-1-(4-ethoxyphenyl)ethanol
CID 63634863
2-(3-methoxypiperidin-1-yl)-1-(4-propylphenyl)ethanol
CID 102966119
2-(3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl)-1-(4-propylphenyl)ethanol
CID 115561354
2-(2-ethyl-5-methylpyrrolidin-1-yl)-1-(4-propylphenyl)ethanol
CID 83221740
1-(3,4-dimethylpiperazin-1-yl)butan-2-ol
CID 63633779
(1S)-1-(4-chlorophenyl)-2-[(3R)-4-[(2S)-2-(4-chlorophenyl)-2-hydroxyethyl]-3-methylpiperazin-1-yl]ethanol
CID 30738286
2-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-1-(4-propylphenyl)ethanol
CID 82217030
3-(3,4-dimethylpiperazin-1-yl)-2-methyl-1-phenylpropan-1-ol
CID 63621095
2-(2-ethylazepan-1-yl)-1-(4-propylphenyl)ethanol
CID 104691439
(1R)-2-[(3S)-4-(2-ethoxyethyl)-3-methylpiperazin-1-yl]-1-(4-propan-2-ylphenyl)ethanol
CID 95978212
2-(3-methylpiperidin-1-yl)-1-[4-(2-methylpropyl)phenyl]ethanol
CID 60981654

Frequently Asked Questions

What is the IUPAC name of 2-(3,4-dimethylpiperazin-1-yl)-1-(4-propylphenyl)ethanol?
The IUPAC name of 2-(3,4-dimethylpiperazin-1-yl)-1-(4-propylphenyl)ethanol (CID 63635565) is 2-(3,4-dimethylpiperazin-1-yl)-1-(4-propylphenyl)ethanol.
What is the SMILES notation for 2-(3,4-dimethylpiperazin-1-yl)-1-(4-propylphenyl)ethanol?
The canonical SMILES for 2-(3,4-dimethylpiperazin-1-yl)-1-(4-propylphenyl)ethanol is CCCc1ccc(C(O)CN2CCN(C)C(C)C2)cc1.
What is the InChIKey of 2-(3,4-dimethylpiperazin-1-yl)-1-(4-propylphenyl)ethanol?
The InChIKey is DPBYZKGLATUBGY-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H28N2O/c1-4-5-15-6-8-16(9-7-15)17(20)13-19-11-10-18(3)14(2)12-19/h6-9,14,17,20H,4-5,10-13H2,1-3H3.
What are the key properties of 2-(3,4-dimethylpiperazin-1-yl)-1-(4-propylphenyl)ethanol?
2-(3,4-dimethylpiperazin-1-yl)-1-(4-propylphenyl)ethanol has a molecular weight of 276.42 g/mol, XLogP of 2.31, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3,4-dimethylpiperazin-1-yl)-1-(4-propylphenyl)ethanol is sourced from PubChem (CID 63635565), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).