1-[4-(3-chlorophenyl)piperazin-1-yl]-3-(4-fluorophenoxy)propan-2-ol

C19H22ClFN2O2 — CID 2920125

IUPAC1-[4-(3-chlorophenyl)piperazin-1-yl]-3-(4-fluorophenoxy)propan-2-ol
SMILESOC(COc1ccc(F)cc1)CN1CCN(c2cccc(Cl)c2)CC1
InChIInChI=1S/C19H22ClFN2O2/c20-15-2-1-3-17(12-15)23-10-8-22(9-11-23)13-18(24)14-25-19-6-4-16(21)5-7-19/h1-7,12,18,24H,8-11,13-14H2
InChIKeyIKJOOOXKKAKCDB-UHFFFAOYSA-N
MW364.85 g/mol
LogP3.04
Rot. Bonds6

About 1-[4-(3-chlorophenyl)piperazin-1-yl]-3-(4-fluorophenoxy)propan-2-ol

1-[4-(3-chlorophenyl)piperazin-1-yl]-3-(4-fluorophenoxy)propan-2-ol (PubChem CID 2920125) has the molecular formula C19H22ClFN2O2 and a molecular weight of 364.85 g/mol. Its IUPAC name is 1-[4-(3-chlorophenyl)piperazin-1-yl]-3-(4-fluorophenoxy)propan-2-ol.

Molecular Properties

Compound Name1-[4-(3-chlorophenyl)piperazin-1-yl]-3-(4-fluorophenoxy)propan-2-ol
PubChem CID2920125
Molecular FormulaC19H22ClFN2O2
Molecular Weight364.85 g/mol
Exact Mass364.14
IUPAC Name1-[4-(3-chlorophenyl)piperazin-1-yl]-3-(4-fluorophenoxy)propan-2-ol
SMILESOC(COc1ccc(F)cc1)CN1CCN(c2cccc(Cl)c2)CC1
InChIInChI=1S/C19H22ClFN2O2/c20-15-2-1-3-17(12-15)23-10-8-22(9-11-23)13-18(24)14-25-19-6-4-16(21)5-7-19/h1-7,12,18,24H,8-11,13-14H2
InChIKeyIKJOOOXKKAKCDB-UHFFFAOYSA-N
XLogP3.04
TPSA35.94 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.85
LogP ≤ 53.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-[4-(3-chlorophenyl)piperazin-1-yl]-3-(4-fluorophenoxy)propan-2-ol?
The IUPAC name of 1-[4-(3-chlorophenyl)piperazin-1-yl]-3-(4-fluorophenoxy)propan-2-ol (CID 2920125) is 1-[4-(3-chlorophenyl)piperazin-1-yl]-3-(4-fluorophenoxy)propan-2-ol.
What is the SMILES notation for 1-[4-(3-chlorophenyl)piperazin-1-yl]-3-(4-fluorophenoxy)propan-2-ol?
The canonical SMILES for 1-[4-(3-chlorophenyl)piperazin-1-yl]-3-(4-fluorophenoxy)propan-2-ol is OC(COc1ccc(F)cc1)CN1CCN(c2cccc(Cl)c2)CC1.
What is the InChIKey of 1-[4-(3-chlorophenyl)piperazin-1-yl]-3-(4-fluorophenoxy)propan-2-ol?
The InChIKey is IKJOOOXKKAKCDB-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22ClFN2O2/c20-15-2-1-3-17(12-15)23-10-8-22(9-11-23)13-18(24)14-25-19-6-4-16(21)5-7-19/h1-7,12,18,24H,8-11,13-14H2.
What are the key properties of 1-[4-(3-chlorophenyl)piperazin-1-yl]-3-(4-fluorophenoxy)propan-2-ol?
1-[4-(3-chlorophenyl)piperazin-1-yl]-3-(4-fluorophenoxy)propan-2-ol has a molecular weight of 364.85 g/mol, XLogP of 3.04, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(3-chlorophenyl)piperazin-1-yl]-3-(4-fluorophenoxy)propan-2-ol is sourced from PubChem (CID 2920125), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).