1-benzyl-3-[4-(2-fluorophenyl)piperazin-1-yl]-4-methylpiperidin-4-ol

C23H30FN3O — CID 91733843

IUPAC1-benzyl-3-[4-(2-fluorophenyl)piperazin-1-yl]-4-methylpiperidin-4-ol
SMILESCC1(O)CCN(Cc2ccccc2)CC1N1CCN(c2ccccc2F)CC1
InChIInChI=1S/C23H30FN3O/c1-23(28)11-12-25(17-19-7-3-2-4-8-19)18-22(23)27-15-13-26(14-16-27)21-10-6-5-9-20(21)24/h2-10,22,28H,11-18H2,1H3
InChIKeyMDQAHAPFCUTETH-UHFFFAOYSA-N
MW383.51 g/mol
LogP2.97
Rot. Bonds4

About 1-benzyl-3-[4-(2-fluorophenyl)piperazin-1-yl]-4-methylpiperidin-4-ol

1-benzyl-3-[4-(2-fluorophenyl)piperazin-1-yl]-4-methylpiperidin-4-ol (PubChem CID 91733843) has the molecular formula C23H30FN3O and a molecular weight of 383.51 g/mol. Its IUPAC name is 1-benzyl-3-[4-(2-fluorophenyl)piperazin-1-yl]-4-methylpiperidin-4-ol.

Molecular Properties

Compound Name1-benzyl-3-[4-(2-fluorophenyl)piperazin-1-yl]-4-methylpiperidin-4-ol
PubChem CID91733843
Molecular FormulaC23H30FN3O
Molecular Weight383.51 g/mol
Exact Mass383.24
IUPAC Name1-benzyl-3-[4-(2-fluorophenyl)piperazin-1-yl]-4-methylpiperidin-4-ol
SMILESCC1(O)CCN(Cc2ccccc2)CC1N1CCN(c2ccccc2F)CC1
InChIInChI=1S/C23H30FN3O/c1-23(28)11-12-25(17-19-7-3-2-4-8-19)18-22(23)27-15-13-26(14-16-27)21-10-6-5-9-20(21)24/h2-10,22,28H,11-18H2,1H3
InChIKeyMDQAHAPFCUTETH-UHFFFAOYSA-N
XLogP2.97
TPSA29.95 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500383.51
LogP ≤ 52.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-benzyl-3-[4-(2-fluorophenyl)piperazin-1-yl]-4-methylpiperidin-4-ol?
The IUPAC name of 1-benzyl-3-[4-(2-fluorophenyl)piperazin-1-yl]-4-methylpiperidin-4-ol (CID 91733843) is 1-benzyl-3-[4-(2-fluorophenyl)piperazin-1-yl]-4-methylpiperidin-4-ol.
What is the SMILES notation for 1-benzyl-3-[4-(2-fluorophenyl)piperazin-1-yl]-4-methylpiperidin-4-ol?
The canonical SMILES for 1-benzyl-3-[4-(2-fluorophenyl)piperazin-1-yl]-4-methylpiperidin-4-ol is CC1(O)CCN(Cc2ccccc2)CC1N1CCN(c2ccccc2F)CC1.
What is the InChIKey of 1-benzyl-3-[4-(2-fluorophenyl)piperazin-1-yl]-4-methylpiperidin-4-ol?
The InChIKey is MDQAHAPFCUTETH-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H30FN3O/c1-23(28)11-12-25(17-19-7-3-2-4-8-19)18-22(23)27-15-13-26(14-16-27)21-10-6-5-9-20(21)24/h2-10,22,28H,11-18H2,1H3.
What are the key properties of 1-benzyl-3-[4-(2-fluorophenyl)piperazin-1-yl]-4-methylpiperidin-4-ol?
1-benzyl-3-[4-(2-fluorophenyl)piperazin-1-yl]-4-methylpiperidin-4-ol has a molecular weight of 383.51 g/mol, XLogP of 2.97, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-benzyl-3-[4-(2-fluorophenyl)piperazin-1-yl]-4-methylpiperidin-4-ol is sourced from PubChem (CID 91733843), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).