[2-(3-fluorophenyl)piperazin-1-yl]-(oxolan-3-yl)methanone;hydrochloride

C15H20ClFN2O2 — CID 120735794

IUPAC[2-(3-fluorophenyl)piperazin-1-yl]-(oxolan-3-yl)methanone;hydrochloride
SMILESCl.O=C(C1CCOC1)N1CCNCC1c1cccc(F)c1
InChIInChI=1S/C15H19FN2O2.ClH/c16-13-3-1-2-11(8-13)14-9-17-5-6-18(14)15(19)12-4-7-20-10-12;/h1-3,8,12,14,17H,4-7,9-10H2;1H
InChIKeyJLKYKUDIDCXIFF-UHFFFAOYSA-N
MW314.79 g/mol
LogP1.76
Rot. Bonds2

About [2-(3-fluorophenyl)piperazin-1-yl]-(oxolan-3-yl)methanone;hydrochloride

[2-(3-fluorophenyl)piperazin-1-yl]-(oxolan-3-yl)methanone;hydrochloride (PubChem CID 120735794) has the molecular formula C15H20ClFN2O2 and a molecular weight of 314.79 g/mol. Its IUPAC name is [2-(3-fluorophenyl)piperazin-1-yl]-(oxolan-3-yl)methanone;hydrochloride.

Molecular Properties

Compound Name[2-(3-fluorophenyl)piperazin-1-yl]-(oxolan-3-yl)methanone;hydrochloride
PubChem CID120735794
Molecular FormulaC15H20ClFN2O2
Molecular Weight314.79 g/mol
Exact Mass314.12
IUPAC Name[2-(3-fluorophenyl)piperazin-1-yl]-(oxolan-3-yl)methanone;hydrochloride
SMILESCl.O=C(C1CCOC1)N1CCNCC1c1cccc(F)c1
InChIInChI=1S/C15H19FN2O2.ClH/c16-13-3-1-2-11(8-13)14-9-17-5-6-18(14)15(19)12-4-7-20-10-12;/h1-3,8,12,14,17H,4-7,9-10H2;1H
InChIKeyJLKYKUDIDCXIFF-UHFFFAOYSA-N
XLogP1.76
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.79
LogP ≤ 51.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

[2-(3-chlorophenyl)piperazin-1-yl]-(oxolan-3-yl)methanone;hydrochloride
CID 120803594
[2-(3-fluorophenyl)piperazin-1-yl]-(thian-4-yl)methanone;hydrochloride
CID 120737909
1-[2-(3-fluorophenyl)piperazin-1-yl]-3-(oxolan-3-yl)propan-1-one;hydrochloride
CID 120736841
5-[2-(3-fluorophenyl)piperazine-1-carbonyl]piperidin-2-one;hydrochloride
CID 120736265
(1,1-dioxothiolan-3-yl)-[2-(3-fluorophenyl)piperazin-1-yl]methanone;hydrochloride
CID 120736331
[2-(3-fluorophenyl)piperazin-1-yl]-(1-methylsulfonylpiperidin-4-yl)methanone;hydrochloride
CID 120737317
[2-(3-fluorophenyl)piperazin-1-yl]-(1-propan-2-ylpiperidin-4-yl)methanone
CID 120736138
[2-(3-fluorophenyl)piperazin-1-yl]-[1-(pyrrolidine-1-carbonyl)piperidin-3-yl]methanone;hydrochloride
CID 120735636
cyclopropyl-[3-[2-(3-fluorophenyl)piperazine-1-carbonyl]piperidin-1-yl]methanone
CID 120738005
[2-(3-fluorophenyl)pyrrolidin-1-yl]-pyrrolidin-3-ylmethanone
CID 119721878
2-cyclobutyl-1-[2-(3-fluorophenyl)piperazin-1-yl]ethanone;hydrochloride
CID 120736006
1-[2-(3-fluorophenyl)piperazin-1-yl]-2-morpholin-4-ylpropan-1-one
CID 120736144

Frequently Asked Questions

What is the IUPAC name of [2-(3-fluorophenyl)piperazin-1-yl]-(oxolan-3-yl)methanone;hydrochloride?
The IUPAC name of [2-(3-fluorophenyl)piperazin-1-yl]-(oxolan-3-yl)methanone;hydrochloride (CID 120735794) is [2-(3-fluorophenyl)piperazin-1-yl]-(oxolan-3-yl)methanone;hydrochloride.
What is the SMILES notation for [2-(3-fluorophenyl)piperazin-1-yl]-(oxolan-3-yl)methanone;hydrochloride?
The canonical SMILES for [2-(3-fluorophenyl)piperazin-1-yl]-(oxolan-3-yl)methanone;hydrochloride is Cl.O=C(C1CCOC1)N1CCNCC1c1cccc(F)c1.
What is the InChIKey of [2-(3-fluorophenyl)piperazin-1-yl]-(oxolan-3-yl)methanone;hydrochloride?
The InChIKey is JLKYKUDIDCXIFF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19FN2O2.ClH/c16-13-3-1-2-11(8-13)14-9-17-5-6-18(14)15(19)12-4-7-20-10-12;/h1-3,8,12,14,17H,4-7,9-10H2;1H.
What are the key properties of [2-(3-fluorophenyl)piperazin-1-yl]-(oxolan-3-yl)methanone;hydrochloride?
[2-(3-fluorophenyl)piperazin-1-yl]-(oxolan-3-yl)methanone;hydrochloride has a molecular weight of 314.79 g/mol, XLogP of 1.76, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(3-fluorophenyl)piperazin-1-yl]-(oxolan-3-yl)methanone;hydrochloride is sourced from PubChem (CID 120735794), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).