1-(4-ethylphenoxy)-3-(4-phenylpiperazin-1-yl)propan-2-ol;hydrochloride

C21H29ClN2O2 — CID 6602855

IUPAC1-(4-ethylphenoxy)-3-(4-phenylpiperazin-1-yl)propan-2-ol;hydrochloride
SMILESCCc1ccc(OCC(O)CN2CCN(c3ccccc3)CC2)cc1.Cl
InChIInChI=1S/C21H28N2O2.ClH/c1-2-18-8-10-21(11-9-18)25-17-20(24)16-22-12-14-23(15-13-22)19-6-4-3-5-7-19;/h3-11,20,24H,2,12-17H2,1H3;1H
InChIKeyAVUWPLVUIQKQKM-UHFFFAOYSA-N
MW376.93 g/mol
LogP3.23
Rot. Bonds7

About 1-(4-ethylphenoxy)-3-(4-phenylpiperazin-1-yl)propan-2-ol;hydrochloride

1-(4-ethylphenoxy)-3-(4-phenylpiperazin-1-yl)propan-2-ol;hydrochloride (PubChem CID 6602855) has the molecular formula C21H29ClN2O2 and a molecular weight of 376.93 g/mol. Its IUPAC name is 1-(4-ethylphenoxy)-3-(4-phenylpiperazin-1-yl)propan-2-ol;hydrochloride.

Molecular Properties

Compound Name1-(4-ethylphenoxy)-3-(4-phenylpiperazin-1-yl)propan-2-ol;hydrochloride
PubChem CID6602855
Molecular FormulaC21H29ClN2O2
Molecular Weight376.93 g/mol
Exact Mass376.19
IUPAC Name1-(4-ethylphenoxy)-3-(4-phenylpiperazin-1-yl)propan-2-ol;hydrochloride
SMILESCCc1ccc(OCC(O)CN2CCN(c3ccccc3)CC2)cc1.Cl
InChIInChI=1S/C21H28N2O2.ClH/c1-2-18-8-10-21(11-9-18)25-17-20(24)16-22-12-14-23(15-13-22)19-6-4-3-5-7-19;/h3-11,20,24H,2,12-17H2,1H3;1H
InChIKeyAVUWPLVUIQKQKM-UHFFFAOYSA-N
XLogP3.23
TPSA35.94 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.93
LogP ≤ 53.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-(4-ethylphenoxy)-3-(4-phenylpiperazin-1-yl)propan-2-ol;hydrochloride?
The IUPAC name of 1-(4-ethylphenoxy)-3-(4-phenylpiperazin-1-yl)propan-2-ol;hydrochloride (CID 6602855) is 1-(4-ethylphenoxy)-3-(4-phenylpiperazin-1-yl)propan-2-ol;hydrochloride.
What is the SMILES notation for 1-(4-ethylphenoxy)-3-(4-phenylpiperazin-1-yl)propan-2-ol;hydrochloride?
The canonical SMILES for 1-(4-ethylphenoxy)-3-(4-phenylpiperazin-1-yl)propan-2-ol;hydrochloride is CCc1ccc(OCC(O)CN2CCN(c3ccccc3)CC2)cc1.Cl.
What is the InChIKey of 1-(4-ethylphenoxy)-3-(4-phenylpiperazin-1-yl)propan-2-ol;hydrochloride?
The InChIKey is AVUWPLVUIQKQKM-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H28N2O2.ClH/c1-2-18-8-10-21(11-9-18)25-17-20(24)16-22-12-14-23(15-13-22)19-6-4-3-5-7-19;/h3-11,20,24H,2,12-17H2,1H3;1H.
What are the key properties of 1-(4-ethylphenoxy)-3-(4-phenylpiperazin-1-yl)propan-2-ol;hydrochloride?
1-(4-ethylphenoxy)-3-(4-phenylpiperazin-1-yl)propan-2-ol;hydrochloride has a molecular weight of 376.93 g/mol, XLogP of 3.23, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-ethylphenoxy)-3-(4-phenylpiperazin-1-yl)propan-2-ol;hydrochloride is sourced from PubChem (CID 6602855), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).