[4-(4-fluorophenyl)piperazin-2-yl]-[4-(hydroxymethyl)piperidin-1-yl]methanone

C17H24FN3O2 — CID 110086724

IUPAC[4-(4-fluorophenyl)piperazin-2-yl]-[4-(hydroxymethyl)piperidin-1-yl]methanone
SMILESO=C(C1CN(c2ccc(F)cc2)CCN1)N1CCC(CO)CC1
InChIInChI=1S/C17H24FN3O2/c18-14-1-3-15(4-2-14)21-10-7-19-16(11-21)17(23)20-8-5-13(12-22)6-9-20/h1-4,13,16,19,22H,5-12H2
InChIKeyDKSDUDYRAPLNCG-UHFFFAOYSA-N
MW321.40 g/mol
LogP0.83
Rot. Bonds3

About [4-(4-fluorophenyl)piperazin-2-yl]-[4-(hydroxymethyl)piperidin-1-yl]methanone

[4-(4-fluorophenyl)piperazin-2-yl]-[4-(hydroxymethyl)piperidin-1-yl]methanone (PubChem CID 110086724) has the molecular formula C17H24FN3O2 and a molecular weight of 321.40 g/mol. Its IUPAC name is [4-(4-fluorophenyl)piperazin-2-yl]-[4-(hydroxymethyl)piperidin-1-yl]methanone.

Molecular Properties

Compound Name[4-(4-fluorophenyl)piperazin-2-yl]-[4-(hydroxymethyl)piperidin-1-yl]methanone
PubChem CID110086724
Molecular FormulaC17H24FN3O2
Molecular Weight321.40 g/mol
Exact Mass321.19
IUPAC Name[4-(4-fluorophenyl)piperazin-2-yl]-[4-(hydroxymethyl)piperidin-1-yl]methanone
SMILESO=C(C1CN(c2ccc(F)cc2)CCN1)N1CCC(CO)CC1
InChIInChI=1S/C17H24FN3O2/c18-14-1-3-15(4-2-14)21-10-7-19-16(11-21)17(23)20-8-5-13(12-22)6-9-20/h1-4,13,16,19,22H,5-12H2
InChIKeyDKSDUDYRAPLNCG-UHFFFAOYSA-N
XLogP0.83
TPSA55.81 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.40
LogP ≤ 50.83
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

1-[(2S)-4-(4-fluorophenyl)piperazine-2-carbonyl]piperidine-4-carboxamide
CID 124997732
(4-hydroxypiperidin-1-yl)-[(2S)-4-(4-methoxyphenyl)piperazin-2-yl]methanone
CID 124983561
[4-(4-fluorophenyl)piperazin-1-yl]-[(2R)-4-propan-2-ylpiperazin-2-yl]methanone
CID 59845995
(2R)-4-(4-fluorophenyl)-N-(oxan-4-ylmethyl)piperazine-2-carboxamide
CID 125009047
N-cyclobutyl-4-(4-fluorophenyl)piperazine-2-carboxamide
CID 110086727
N-cyclopentyl-4-(4-fluorophenyl)piperazine-2-carboxamide
CID 110086700
[4-(hydroxymethyl)piperidin-1-yl]-pyrrolidin-2-ylmethanone
CID 43133259
[4-(4-fluorophenyl)piperazin-1-yl]-piperidin-2-ylmethanone;dihydrochloride
CID 119827491
[(2R)-4-(5-fluoropyrimidin-2-yl)piperazin-2-yl]-pyrrolidin-1-ylmethanone
CID 95721720
1-[4-(4-fluorophenyl)piperazin-1-yl]-3-[4-(hydroxymethyl)piperidin-1-yl]propan-1-one
CID 60500933
1-[4-(4-fluorophenyl)piperazin-1-yl]-3-[3-(hydroxymethyl)pyrrolidin-1-yl]propan-1-one
CID 111442592
2-(4-fluorophenyl)sulfanyl-1-[4-(hydroxymethyl)piperidin-1-yl]ethanone
CID 54878308

Frequently Asked Questions

What is the IUPAC name of [4-(4-fluorophenyl)piperazin-2-yl]-[4-(hydroxymethyl)piperidin-1-yl]methanone?
The IUPAC name of [4-(4-fluorophenyl)piperazin-2-yl]-[4-(hydroxymethyl)piperidin-1-yl]methanone (CID 110086724) is [4-(4-fluorophenyl)piperazin-2-yl]-[4-(hydroxymethyl)piperidin-1-yl]methanone.
What is the SMILES notation for [4-(4-fluorophenyl)piperazin-2-yl]-[4-(hydroxymethyl)piperidin-1-yl]methanone?
The canonical SMILES for [4-(4-fluorophenyl)piperazin-2-yl]-[4-(hydroxymethyl)piperidin-1-yl]methanone is O=C(C1CN(c2ccc(F)cc2)CCN1)N1CCC(CO)CC1.
What is the InChIKey of [4-(4-fluorophenyl)piperazin-2-yl]-[4-(hydroxymethyl)piperidin-1-yl]methanone?
The InChIKey is DKSDUDYRAPLNCG-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24FN3O2/c18-14-1-3-15(4-2-14)21-10-7-19-16(11-21)17(23)20-8-5-13(12-22)6-9-20/h1-4,13,16,19,22H,5-12H2.
What are the key properties of [4-(4-fluorophenyl)piperazin-2-yl]-[4-(hydroxymethyl)piperidin-1-yl]methanone?
[4-(4-fluorophenyl)piperazin-2-yl]-[4-(hydroxymethyl)piperidin-1-yl]methanone has a molecular weight of 321.40 g/mol, XLogP of 0.83, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(4-fluorophenyl)piperazin-2-yl]-[4-(hydroxymethyl)piperidin-1-yl]methanone is sourced from PubChem (CID 110086724), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).