(1R)-1-[6-[4-(4-fluorophenoxy)phenyl]-4-piperazin-1-yl-2-pyridinyl]ethane-1,2-diol

C23H24FN3O3 — CID 56943334

IUPAC(1R)-1-[6-[4-(4-fluorophenoxy)phenyl]-4-piperazin-1-yl-2-pyridinyl]ethane-1,2-diol
SMILESOC[C@H](O)c1cc(N2CCNCC2)cc(-c2ccc(Oc3ccc(F)cc3)cc2)n1
InChIInChI=1S/C23H24FN3O3/c24-17-3-7-20(8-4-17)30-19-5-1-16(2-6-19)21-13-18(27-11-9-25-10-12-27)14-22(26-21)23(29)15-28/h1-8,13-14,23,25,28-29H,9-12,15H2/t23-/m0/s1
InChIKeyMACWCJRKJIPQFL-QHCPKHFHSA-N
MW409.46 g/mol
LogP3.12
Rot. Bonds6

About (1R)-1-[6-[4-(4-fluorophenoxy)phenyl]-4-piperazin-1-yl-2-pyridinyl]ethane-1,2-diol

(1R)-1-[6-[4-(4-fluorophenoxy)phenyl]-4-piperazin-1-yl-2-pyridinyl]ethane-1,2-diol (PubChem CID 56943334) has the molecular formula C23H24FN3O3 and a molecular weight of 409.46 g/mol. Its IUPAC name is (1R)-1-[6-[4-(4-fluorophenoxy)phenyl]-4-piperazin-1-yl-2-pyridinyl]ethane-1,2-diol.

Molecular Properties

Compound Name(1R)-1-[6-[4-(4-fluorophenoxy)phenyl]-4-piperazin-1-yl-2-pyridinyl]ethane-1,2-diol
PubChem CID56943334
Molecular FormulaC23H24FN3O3
Molecular Weight409.46 g/mol
Exact Mass409.18
IUPAC Name(1R)-1-[6-[4-(4-fluorophenoxy)phenyl]-4-piperazin-1-yl-2-pyridinyl]ethane-1,2-diol
SMILESOC[C@H](O)c1cc(N2CCNCC2)cc(-c2ccc(Oc3ccc(F)cc3)cc2)n1
InChIInChI=1S/C23H24FN3O3/c24-17-3-7-20(8-4-17)30-19-5-1-16(2-6-19)21-13-18(27-11-9-25-10-12-27)14-22(26-21)23(29)15-28/h1-8,13-14,23,25,28-29H,9-12,15H2/t23-/m0/s1
InChIKeyMACWCJRKJIPQFL-QHCPKHFHSA-N
XLogP3.12
TPSA77.85 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500409.46
LogP ≤ 53.12
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of (1R)-1-[6-[4-(4-fluorophenoxy)phenyl]-4-piperazin-1-yl-2-pyridinyl]ethane-1,2-diol?
The IUPAC name of (1R)-1-[6-[4-(4-fluorophenoxy)phenyl]-4-piperazin-1-yl-2-pyridinyl]ethane-1,2-diol (CID 56943334) is (1R)-1-[6-[4-(4-fluorophenoxy)phenyl]-4-piperazin-1-yl-2-pyridinyl]ethane-1,2-diol.
What is the SMILES notation for (1R)-1-[6-[4-(4-fluorophenoxy)phenyl]-4-piperazin-1-yl-2-pyridinyl]ethane-1,2-diol?
The canonical SMILES for (1R)-1-[6-[4-(4-fluorophenoxy)phenyl]-4-piperazin-1-yl-2-pyridinyl]ethane-1,2-diol is OC[C@H](O)c1cc(N2CCNCC2)cc(-c2ccc(Oc3ccc(F)cc3)cc2)n1.
What is the InChIKey of (1R)-1-[6-[4-(4-fluorophenoxy)phenyl]-4-piperazin-1-yl-2-pyridinyl]ethane-1,2-diol?
The InChIKey is MACWCJRKJIPQFL-QHCPKHFHSA-N. The full InChI is InChI=1S/C23H24FN3O3/c24-17-3-7-20(8-4-17)30-19-5-1-16(2-6-19)21-13-18(27-11-9-25-10-12-27)14-22(26-21)23(29)15-28/h1-8,13-14,23,25,28-29H,9-12,15H2/t23-/m0/s1.
What are the key properties of (1R)-1-[6-[4-(4-fluorophenoxy)phenyl]-4-piperazin-1-yl-2-pyridinyl]ethane-1,2-diol?
(1R)-1-[6-[4-(4-fluorophenoxy)phenyl]-4-piperazin-1-yl-2-pyridinyl]ethane-1,2-diol has a molecular weight of 409.46 g/mol, XLogP of 3.12, 6 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (1R)-1-[6-[4-(4-fluorophenoxy)phenyl]-4-piperazin-1-yl-2-pyridinyl]ethane-1,2-diol is sourced from PubChem (CID 56943334), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).