3-(4-ethylpiperazin-1-yl)-1-(2-propoxyphenyl)propan-1-ol

C18H30N2O2 — CID 82105545

IUPAC3-(4-ethylpiperazin-1-yl)-1-(2-propoxyphenyl)propan-1-ol
SMILESCCCOc1ccccc1C(O)CCN1CCN(CC)CC1
InChIInChI=1S/C18H30N2O2/c1-3-15-22-18-8-6-5-7-16(18)17(21)9-10-20-13-11-19(4-2)12-14-20/h5-8,17,21H,3-4,9-15H2,1-2H3
InChIKeyKWARZTSFNRMHRR-UHFFFAOYSA-N
MW306.45 g/mol
LogP2.54
Rot. Bonds8

About 3-(4-ethylpiperazin-1-yl)-1-(2-propoxyphenyl)propan-1-ol

3-(4-ethylpiperazin-1-yl)-1-(2-propoxyphenyl)propan-1-ol (PubChem CID 82105545) has the molecular formula C18H30N2O2 and a molecular weight of 306.45 g/mol. Its IUPAC name is 3-(4-ethylpiperazin-1-yl)-1-(2-propoxyphenyl)propan-1-ol.

Molecular Properties

Compound Name3-(4-ethylpiperazin-1-yl)-1-(2-propoxyphenyl)propan-1-ol
PubChem CID82105545
Molecular FormulaC18H30N2O2
Molecular Weight306.45 g/mol
Exact Mass306.23
IUPAC Name3-(4-ethylpiperazin-1-yl)-1-(2-propoxyphenyl)propan-1-ol
SMILESCCCOc1ccccc1C(O)CCN1CCN(CC)CC1
InChIInChI=1S/C18H30N2O2/c1-3-15-22-18-8-6-5-7-16(18)17(21)9-10-20-13-11-19(4-2)12-14-20/h5-8,17,21H,3-4,9-15H2,1-2H3
InChIKeyKWARZTSFNRMHRR-UHFFFAOYSA-N
XLogP2.54
TPSA35.94 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.45
LogP ≤ 52.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-(2-propoxyphenyl)heptan-1-ol
CID 113438141
1-(5-tert-butyl-2-propoxyphenyl)-3-pyrrolidin-1-ylpropan-1-ol
CID 82074289
1-(2-propoxyphenyl)ethanol
CID 43503976
1-[2-(2-piperidin-1-ylethoxy)phenyl]propan-1-ol
CID 43503527
1-(2-methylphenyl)-3-(4-propylpiperazin-1-yl)propan-1-ol
CID 62623999
1-(4-ethylpiperazin-1-yl)-3-[2-(2-propan-2-ylphenoxy)ethoxy]propan-2-ol;dihydrochloride
CID 16807106
(1R)-1-[2-(3-pyrrolidin-1-ylpropoxy)phenyl]ethanol
CID 63364786
2-ethoxy-1-(2-propoxyphenyl)propan-1-ol
CID 104659557
(1S)-3-amino-1-(2-ethoxyphenyl)propan-1-ol
CID 95732345
3-piperazin-1-yl-1-(2-propoxynaphthalen-1-yl)propan-1-ol
CID 82263112
1-[2-(2-propoxyphenoxy)phenyl]propan-1-ol
CID 115996062
(1S)-2-amino-1-(2-butoxyphenyl)ethanol
CID 39242449

Frequently Asked Questions

What is the IUPAC name of 3-(4-ethylpiperazin-1-yl)-1-(2-propoxyphenyl)propan-1-ol?
The IUPAC name of 3-(4-ethylpiperazin-1-yl)-1-(2-propoxyphenyl)propan-1-ol (CID 82105545) is 3-(4-ethylpiperazin-1-yl)-1-(2-propoxyphenyl)propan-1-ol.
What is the SMILES notation for 3-(4-ethylpiperazin-1-yl)-1-(2-propoxyphenyl)propan-1-ol?
The canonical SMILES for 3-(4-ethylpiperazin-1-yl)-1-(2-propoxyphenyl)propan-1-ol is CCCOc1ccccc1C(O)CCN1CCN(CC)CC1.
What is the InChIKey of 3-(4-ethylpiperazin-1-yl)-1-(2-propoxyphenyl)propan-1-ol?
The InChIKey is KWARZTSFNRMHRR-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H30N2O2/c1-3-15-22-18-8-6-5-7-16(18)17(21)9-10-20-13-11-19(4-2)12-14-20/h5-8,17,21H,3-4,9-15H2,1-2H3.
What are the key properties of 3-(4-ethylpiperazin-1-yl)-1-(2-propoxyphenyl)propan-1-ol?
3-(4-ethylpiperazin-1-yl)-1-(2-propoxyphenyl)propan-1-ol has a molecular weight of 306.45 g/mol, XLogP of 2.54, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-ethylpiperazin-1-yl)-1-(2-propoxyphenyl)propan-1-ol is sourced from PubChem (CID 82105545), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).