1-[4-(5-chloro-2-methylphenyl)piperazin-1-yl]-3-(4-fluorophenoxy)propan-2-ol

C20H24ClFN2O2 — CID 2920049

IUPAC1-[4-(5-chloro-2-methylphenyl)piperazin-1-yl]-3-(4-fluorophenoxy)propan-2-ol
SMILESCc1ccc(Cl)cc1N1CCN(CC(O)COc2ccc(F)cc2)CC1
InChIInChI=1S/C20H24ClFN2O2/c1-15-2-3-16(21)12-20(15)24-10-8-23(9-11-24)13-18(25)14-26-19-6-4-17(22)5-7-19/h2-7,12,18,25H,8-11,13-14H2,1H3
InChIKeyGHYFHCPFDFUKIT-UHFFFAOYSA-N
MW378.88 g/mol
LogP3.35
Rot. Bonds6

About 1-[4-(5-chloro-2-methylphenyl)piperazin-1-yl]-3-(4-fluorophenoxy)propan-2-ol

1-[4-(5-chloro-2-methylphenyl)piperazin-1-yl]-3-(4-fluorophenoxy)propan-2-ol (PubChem CID 2920049) has the molecular formula C20H24ClFN2O2 and a molecular weight of 378.88 g/mol. Its IUPAC name is 1-[4-(5-chloro-2-methylphenyl)piperazin-1-yl]-3-(4-fluorophenoxy)propan-2-ol.

Molecular Properties

Compound Name1-[4-(5-chloro-2-methylphenyl)piperazin-1-yl]-3-(4-fluorophenoxy)propan-2-ol
PubChem CID2920049
Molecular FormulaC20H24ClFN2O2
Molecular Weight378.88 g/mol
Exact Mass378.15
IUPAC Name1-[4-(5-chloro-2-methylphenyl)piperazin-1-yl]-3-(4-fluorophenoxy)propan-2-ol
SMILESCc1ccc(Cl)cc1N1CCN(CC(O)COc2ccc(F)cc2)CC1
InChIInChI=1S/C20H24ClFN2O2/c1-15-2-3-16(21)12-20(15)24-10-8-23(9-11-24)13-18(25)14-26-19-6-4-17(22)5-7-19/h2-7,12,18,25H,8-11,13-14H2,1H3
InChIKeyGHYFHCPFDFUKIT-UHFFFAOYSA-N
XLogP3.35
TPSA35.94 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500378.88
LogP ≤ 53.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-[4-(5-chloro-2-methylphenyl)piperazin-1-yl]-3-(4-fluorophenoxy)propan-2-ol?
The IUPAC name of 1-[4-(5-chloro-2-methylphenyl)piperazin-1-yl]-3-(4-fluorophenoxy)propan-2-ol (CID 2920049) is 1-[4-(5-chloro-2-methylphenyl)piperazin-1-yl]-3-(4-fluorophenoxy)propan-2-ol.
What is the SMILES notation for 1-[4-(5-chloro-2-methylphenyl)piperazin-1-yl]-3-(4-fluorophenoxy)propan-2-ol?
The canonical SMILES for 1-[4-(5-chloro-2-methylphenyl)piperazin-1-yl]-3-(4-fluorophenoxy)propan-2-ol is Cc1ccc(Cl)cc1N1CCN(CC(O)COc2ccc(F)cc2)CC1.
What is the InChIKey of 1-[4-(5-chloro-2-methylphenyl)piperazin-1-yl]-3-(4-fluorophenoxy)propan-2-ol?
The InChIKey is GHYFHCPFDFUKIT-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24ClFN2O2/c1-15-2-3-16(21)12-20(15)24-10-8-23(9-11-24)13-18(25)14-26-19-6-4-17(22)5-7-19/h2-7,12,18,25H,8-11,13-14H2,1H3.
What are the key properties of 1-[4-(5-chloro-2-methylphenyl)piperazin-1-yl]-3-(4-fluorophenoxy)propan-2-ol?
1-[4-(5-chloro-2-methylphenyl)piperazin-1-yl]-3-(4-fluorophenoxy)propan-2-ol has a molecular weight of 378.88 g/mol, XLogP of 3.35, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(5-chloro-2-methylphenyl)piperazin-1-yl]-3-(4-fluorophenoxy)propan-2-ol is sourced from PubChem (CID 2920049), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).