1-(4-ethylphenoxy)-3-(4-pyridin-2-ylpiperazin-1-yl)propan-2-ol chloride

C20H27ClN3O2- — CID 53351867

IUPAC1-(4-ethylphenoxy)-3-(4-pyridin-2-ylpiperazin-1-yl)propan-2-ol chloride
SMILESCCc1ccc(OCC(O)CN2CCN(c3ccccn3)CC2)cc1.[Cl-]
InChIInChI=1S/C20H27N3O2.ClH/c1-2-17-6-8-19(9-7-17)25-16-18(24)15-22-11-13-23(14-12-22)20-5-3-4-10-21-20;/h3-10,18,24H,2,11-16H2,1H3;1H/p-1
InChIKeyNBMVIYBLKLLBQK-UHFFFAOYSA-M
MW376.91 g/mol
LogP-0.79
Rot. Bonds7

About 1-(4-ethylphenoxy)-3-(4-pyridin-2-ylpiperazin-1-yl)propan-2-ol chloride

1-(4-ethylphenoxy)-3-(4-pyridin-2-ylpiperazin-1-yl)propan-2-ol chloride (PubChem CID 53351867) has the molecular formula C20H27ClN3O2- and a molecular weight of 376.91 g/mol. Its IUPAC name is 1-(4-ethylphenoxy)-3-(4-pyridin-2-ylpiperazin-1-yl)propan-2-ol chloride.

Molecular Properties

Compound Name1-(4-ethylphenoxy)-3-(4-pyridin-2-ylpiperazin-1-yl)propan-2-ol chloride
PubChem CID53351867
Molecular FormulaC20H27ClN3O2-
Molecular Weight376.91 g/mol
Exact Mass376.18
IUPAC Name1-(4-ethylphenoxy)-3-(4-pyridin-2-ylpiperazin-1-yl)propan-2-ol chloride
SMILESCCc1ccc(OCC(O)CN2CCN(c3ccccn3)CC2)cc1.[Cl-]
InChIInChI=1S/C20H27N3O2.ClH/c1-2-17-6-8-19(9-7-17)25-16-18(24)15-22-11-13-23(14-12-22)20-5-3-4-10-21-20;/h3-10,18,24H,2,11-16H2,1H3;1H/p-1
InChIKeyNBMVIYBLKLLBQK-UHFFFAOYSA-M
XLogP-0.79
TPSA48.83 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.91
LogP ≤ 5-0.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

1-(4-propan-2-ylphenoxy)-3-(4-pyridin-2-ylpiperazin-1-yl)propan-2-ol
CID 2882133
(2R)-1-(4-bromophenoxy)-3-(4-pyridin-2-ylpiperazin-1-yl)propan-2-ol
CID 1311309
(2S)-1-(4-bromophenoxy)-3-(4-pyridin-2-ylpiperazin-1-yl)propan-2-ol
CID 1315226
1-(4-phenylphenoxy)-3-(4-pyridin-2-ylpiperazin-1-yl)propan-2-ol
CID 2940158
1-[4-[(2R)-2-hydroxy-3-(4-pyridin-2-ylpiperazin-1-yl)propoxy]phenyl]propan-1-one
CID 1094949
1-(4-ethylphenoxy)-3-(4-pyrazin-2-ylpiperazin-1-yl)propan-2-ol
CID 110891465
methyl 4-[(2R)-2-hydroxy-3-(4-pyridin-2-ylpiperazin-1-yl)propoxy]benzoate
CID 1300433
methyl 4-[2-hydroxy-3-(4-pyridin-2-ylpiperazin-1-yl)propoxy]benzoate;dihydrochloride
CID 2937127
(2R)-1-(4-ethylphenoxy)-3-(4-phenylpiperazin-1-yl)propan-2-ol
CID 722988
1-naphthalen-2-yloxy-3-(4-pyridin-2-ylpiperazin-1-yl)propan-2-ol
CID 3409821
1-ethoxy-3-(4-pyridin-2-ylpiperazin-1-yl)propan-2-ol
CID 3774471
1-naphthalen-2-yloxy-3-(4-pyridin-2-ylpiperazin-1-yl)propan-2-ol;dihydrochloride
CID 24836839

Frequently Asked Questions

What is the IUPAC name of 1-(4-ethylphenoxy)-3-(4-pyridin-2-ylpiperazin-1-yl)propan-2-ol chloride?
The IUPAC name of 1-(4-ethylphenoxy)-3-(4-pyridin-2-ylpiperazin-1-yl)propan-2-ol chloride (CID 53351867) is 1-(4-ethylphenoxy)-3-(4-pyridin-2-ylpiperazin-1-yl)propan-2-ol chloride.
What is the SMILES notation for 1-(4-ethylphenoxy)-3-(4-pyridin-2-ylpiperazin-1-yl)propan-2-ol chloride?
The canonical SMILES for 1-(4-ethylphenoxy)-3-(4-pyridin-2-ylpiperazin-1-yl)propan-2-ol chloride is CCc1ccc(OCC(O)CN2CCN(c3ccccn3)CC2)cc1.[Cl-].
What is the InChIKey of 1-(4-ethylphenoxy)-3-(4-pyridin-2-ylpiperazin-1-yl)propan-2-ol chloride?
The InChIKey is NBMVIYBLKLLBQK-UHFFFAOYSA-M. The full InChI is InChI=1S/C20H27N3O2.ClH/c1-2-17-6-8-19(9-7-17)25-16-18(24)15-22-11-13-23(14-12-22)20-5-3-4-10-21-20;/h3-10,18,24H,2,11-16H2,1H3;1H/p-1.
What are the key properties of 1-(4-ethylphenoxy)-3-(4-pyridin-2-ylpiperazin-1-yl)propan-2-ol chloride?
1-(4-ethylphenoxy)-3-(4-pyridin-2-ylpiperazin-1-yl)propan-2-ol chloride has a molecular weight of 376.91 g/mol, XLogP of -0.79, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-ethylphenoxy)-3-(4-pyridin-2-ylpiperazin-1-yl)propan-2-ol chloride is sourced from PubChem (CID 53351867), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).