4-[4-(4-chlorophenyl)piperazin-1-yl]-1-phenoxybutan-2-ol

C20H25ClN2O2 — CID 14422842

IUPAC4-[4-(4-chlorophenyl)piperazin-1-yl]-1-phenoxybutan-2-ol
SMILESOC(CCN1CCN(c2ccc(Cl)cc2)CC1)COc1ccccc1
InChIInChI=1S/C20H25ClN2O2/c21-17-6-8-18(9-7-17)23-14-12-22(13-15-23)11-10-19(24)16-25-20-4-2-1-3-5-20/h1-9,19,24H,10-16H2
InChIKeyAJYISZHHXVAAEK-UHFFFAOYSA-N
MW360.89 g/mol
LogP3.29
Rot. Bonds7

About 4-[4-(4-chlorophenyl)piperazin-1-yl]-1-phenoxybutan-2-ol

4-[4-(4-chlorophenyl)piperazin-1-yl]-1-phenoxybutan-2-ol (PubChem CID 14422842) has the molecular formula C20H25ClN2O2 and a molecular weight of 360.89 g/mol. Its IUPAC name is 4-[4-(4-chlorophenyl)piperazin-1-yl]-1-phenoxybutan-2-ol.

Molecular Properties

Compound Name4-[4-(4-chlorophenyl)piperazin-1-yl]-1-phenoxybutan-2-ol
PubChem CID14422842
Molecular FormulaC20H25ClN2O2
Molecular Weight360.89 g/mol
Exact Mass360.16
IUPAC Name4-[4-(4-chlorophenyl)piperazin-1-yl]-1-phenoxybutan-2-ol
SMILESOC(CCN1CCN(c2ccc(Cl)cc2)CC1)COc1ccccc1
InChIInChI=1S/C20H25ClN2O2/c21-17-6-8-18(9-7-17)23-14-12-22(13-15-23)11-10-19(24)16-25-20-4-2-1-3-5-20/h1-9,19,24H,10-16H2
InChIKeyAJYISZHHXVAAEK-UHFFFAOYSA-N
XLogP3.29
TPSA35.94 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.89
LogP ≤ 53.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-[4-(4-chlorophenyl)piperazin-1-yl]-1-phenoxybutan-2-ol?
The IUPAC name of 4-[4-(4-chlorophenyl)piperazin-1-yl]-1-phenoxybutan-2-ol (CID 14422842) is 4-[4-(4-chlorophenyl)piperazin-1-yl]-1-phenoxybutan-2-ol.
What is the SMILES notation for 4-[4-(4-chlorophenyl)piperazin-1-yl]-1-phenoxybutan-2-ol?
The canonical SMILES for 4-[4-(4-chlorophenyl)piperazin-1-yl]-1-phenoxybutan-2-ol is OC(CCN1CCN(c2ccc(Cl)cc2)CC1)COc1ccccc1.
What is the InChIKey of 4-[4-(4-chlorophenyl)piperazin-1-yl]-1-phenoxybutan-2-ol?
The InChIKey is AJYISZHHXVAAEK-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H25ClN2O2/c21-17-6-8-18(9-7-17)23-14-12-22(13-15-23)11-10-19(24)16-25-20-4-2-1-3-5-20/h1-9,19,24H,10-16H2.
What are the key properties of 4-[4-(4-chlorophenyl)piperazin-1-yl]-1-phenoxybutan-2-ol?
4-[4-(4-chlorophenyl)piperazin-1-yl]-1-phenoxybutan-2-ol has a molecular weight of 360.89 g/mol, XLogP of 3.29, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-(4-chlorophenyl)piperazin-1-yl]-1-phenoxybutan-2-ol is sourced from PubChem (CID 14422842), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).