2-[4-(4-fluorophenyl)piperazin-1-yl]-1-(3-hydroxypiperidin-1-yl)propan-1-one

C18H26FN3O2 — CID 56787707

IUPAC2-[4-(4-fluorophenyl)piperazin-1-yl]-1-(3-hydroxypiperidin-1-yl)propan-1-one
SMILESCC(C(=O)N1CCCC(O)C1)N1CCN(c2ccc(F)cc2)CC1
InChIInChI=1S/C18H26FN3O2/c1-14(18(24)22-8-2-3-17(23)13-22)20-9-11-21(12-10-20)16-6-4-15(19)5-7-16/h4-7,14,17,23H,2-3,8-13H2,1H3
InChIKeyIDRXRLNFZQYVSJ-UHFFFAOYSA-N
MW335.42 g/mol
LogP1.32
Rot. Bonds3

About 2-[4-(4-fluorophenyl)piperazin-1-yl]-1-(3-hydroxypiperidin-1-yl)propan-1-one

2-[4-(4-fluorophenyl)piperazin-1-yl]-1-(3-hydroxypiperidin-1-yl)propan-1-one (PubChem CID 56787707) has the molecular formula C18H26FN3O2 and a molecular weight of 335.42 g/mol. Its IUPAC name is 2-[4-(4-fluorophenyl)piperazin-1-yl]-1-(3-hydroxypiperidin-1-yl)propan-1-one.

Molecular Properties

Compound Name2-[4-(4-fluorophenyl)piperazin-1-yl]-1-(3-hydroxypiperidin-1-yl)propan-1-one
PubChem CID56787707
Molecular FormulaC18H26FN3O2
Molecular Weight335.42 g/mol
Exact Mass335.20
IUPAC Name2-[4-(4-fluorophenyl)piperazin-1-yl]-1-(3-hydroxypiperidin-1-yl)propan-1-one
SMILESCC(C(=O)N1CCCC(O)C1)N1CCN(c2ccc(F)cc2)CC1
InChIInChI=1S/C18H26FN3O2/c1-14(18(24)22-8-2-3-17(23)13-22)20-9-11-21(12-10-20)16-6-4-15(19)5-7-16/h4-7,14,17,23H,2-3,8-13H2,1H3
InChIKeyIDRXRLNFZQYVSJ-UHFFFAOYSA-N
XLogP1.32
TPSA47.02 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.42
LogP ≤ 51.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-[4-(4-fluorophenyl)piperazin-1-yl]-1-(3-hydroxypiperidin-1-yl)propan-1-one?
The IUPAC name of 2-[4-(4-fluorophenyl)piperazin-1-yl]-1-(3-hydroxypiperidin-1-yl)propan-1-one (CID 56787707) is 2-[4-(4-fluorophenyl)piperazin-1-yl]-1-(3-hydroxypiperidin-1-yl)propan-1-one.
What is the SMILES notation for 2-[4-(4-fluorophenyl)piperazin-1-yl]-1-(3-hydroxypiperidin-1-yl)propan-1-one?
The canonical SMILES for 2-[4-(4-fluorophenyl)piperazin-1-yl]-1-(3-hydroxypiperidin-1-yl)propan-1-one is CC(C(=O)N1CCCC(O)C1)N1CCN(c2ccc(F)cc2)CC1.
What is the InChIKey of 2-[4-(4-fluorophenyl)piperazin-1-yl]-1-(3-hydroxypiperidin-1-yl)propan-1-one?
The InChIKey is IDRXRLNFZQYVSJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H26FN3O2/c1-14(18(24)22-8-2-3-17(23)13-22)20-9-11-21(12-10-20)16-6-4-15(19)5-7-16/h4-7,14,17,23H,2-3,8-13H2,1H3.
What are the key properties of 2-[4-(4-fluorophenyl)piperazin-1-yl]-1-(3-hydroxypiperidin-1-yl)propan-1-one?
2-[4-(4-fluorophenyl)piperazin-1-yl]-1-(3-hydroxypiperidin-1-yl)propan-1-one has a molecular weight of 335.42 g/mol, XLogP of 1.32, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(4-fluorophenyl)piperazin-1-yl]-1-(3-hydroxypiperidin-1-yl)propan-1-one is sourced from PubChem (CID 56787707), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).