3,4-dihydro-1H-isochromen-1-yl-[2-(3-fluorophenyl)piperazin-1-yl]methanone;hydrochloride

C20H22ClFN2O2 — CID 120736755

IUPAC3,4-dihydro-1H-isochromen-1-yl-[2-(3-fluorophenyl)piperazin-1-yl]methanone;hydrochloride
SMILESCl.O=C(C1OCCc2ccccc21)N1CCNCC1c1cccc(F)c1
InChIInChI=1S/C20H21FN2O2.ClH/c21-16-6-3-5-15(12-16)18-13-22-9-10-23(18)20(24)19-17-7-2-1-4-14(17)8-11-25-19;/h1-7,12,18-19,22H,8-11,13H2;1H
InChIKeyXLRLAMNZWYNPRZ-UHFFFAOYSA-N
MW376.86 g/mol
LogP3.03
Rot. Bonds2

About 3,4-dihydro-1H-isochromen-1-yl-[2-(3-fluorophenyl)piperazin-1-yl]methanone;hydrochloride

3,4-dihydro-1H-isochromen-1-yl-[2-(3-fluorophenyl)piperazin-1-yl]methanone;hydrochloride (PubChem CID 120736755) has the molecular formula C20H22ClFN2O2 and a molecular weight of 376.86 g/mol. Its IUPAC name is 3,4-dihydro-1H-isochromen-1-yl-[2-(3-fluorophenyl)piperazin-1-yl]methanone;hydrochloride.

Molecular Properties

Compound Name3,4-dihydro-1H-isochromen-1-yl-[2-(3-fluorophenyl)piperazin-1-yl]methanone;hydrochloride
PubChem CID120736755
Molecular FormulaC20H22ClFN2O2
Molecular Weight376.86 g/mol
Exact Mass376.14
IUPAC Name3,4-dihydro-1H-isochromen-1-yl-[2-(3-fluorophenyl)piperazin-1-yl]methanone;hydrochloride
SMILESCl.O=C(C1OCCc2ccccc21)N1CCNCC1c1cccc(F)c1
InChIInChI=1S/C20H21FN2O2.ClH/c21-16-6-3-5-15(12-16)18-13-22-9-10-23(18)20(24)19-17-7-2-1-4-14(17)8-11-25-19;/h1-7,12,18-19,22H,8-11,13H2;1H
InChIKeyXLRLAMNZWYNPRZ-UHFFFAOYSA-N
XLogP3.03
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.86
LogP ≤ 53.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-[2-(3-fluorophenyl)piperazine-1-carbonyl]-3,4-dihydro-1H-quinolin-2-one;hydrochloride
CID 120736663
[2-(3-fluorophenyl)piperazin-1-yl]-(oxolan-3-yl)methanone;hydrochloride
CID 120735794
[2-(3-fluorophenyl)piperazin-1-yl]-(thian-4-yl)methanone;hydrochloride
CID 120737909
5-[2-(3-fluorophenyl)piperazine-1-carbonyl]piperidin-2-one;hydrochloride
CID 120736265
(3,5-dimethylfuran-2-yl)-[2-(3-fluorophenyl)piperazin-1-yl]methanone;hydrochloride
CID 120737581
2,3-dihydro-1H-inden-5-yl-[2-(3-fluorophenyl)piperazin-1-yl]methanone
CID 120737068
[2-(2,3-dihydro-1,4-benzodioxin-6-yl)cyclopropyl]-[2-(3-fluorophenyl)piperazin-1-yl]methanone
CID 120736182
2-(4-benzylmorpholin-2-yl)-1-[2-(3-fluorophenyl)piperazin-1-yl]ethanone;dihydrochloride
CID 120736799
[2-(3-fluorophenyl)piperazin-1-yl]-(4-methylphenyl)methanone;hydrochloride
CID 120737441
2-ethylsulfonyl-1-[2-(3-fluorophenyl)piperazin-1-yl]ethanone
CID 120736236
5-[2-(3-fluorophenyl)piperazine-1-carbonyl]thiophene-2-carboxamide;hydrochloride
CID 120736543
(1,1-dioxothiolan-3-yl)-[2-(3-fluorophenyl)piperazin-1-yl]methanone;hydrochloride
CID 120736331

Frequently Asked Questions

What is the IUPAC name of 3,4-dihydro-1H-isochromen-1-yl-[2-(3-fluorophenyl)piperazin-1-yl]methanone;hydrochloride?
The IUPAC name of 3,4-dihydro-1H-isochromen-1-yl-[2-(3-fluorophenyl)piperazin-1-yl]methanone;hydrochloride (CID 120736755) is 3,4-dihydro-1H-isochromen-1-yl-[2-(3-fluorophenyl)piperazin-1-yl]methanone;hydrochloride.
What is the SMILES notation for 3,4-dihydro-1H-isochromen-1-yl-[2-(3-fluorophenyl)piperazin-1-yl]methanone;hydrochloride?
The canonical SMILES for 3,4-dihydro-1H-isochromen-1-yl-[2-(3-fluorophenyl)piperazin-1-yl]methanone;hydrochloride is Cl.O=C(C1OCCc2ccccc21)N1CCNCC1c1cccc(F)c1.
What is the InChIKey of 3,4-dihydro-1H-isochromen-1-yl-[2-(3-fluorophenyl)piperazin-1-yl]methanone;hydrochloride?
The InChIKey is XLRLAMNZWYNPRZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21FN2O2.ClH/c21-16-6-3-5-15(12-16)18-13-22-9-10-23(18)20(24)19-17-7-2-1-4-14(17)8-11-25-19;/h1-7,12,18-19,22H,8-11,13H2;1H.
What are the key properties of 3,4-dihydro-1H-isochromen-1-yl-[2-(3-fluorophenyl)piperazin-1-yl]methanone;hydrochloride?
3,4-dihydro-1H-isochromen-1-yl-[2-(3-fluorophenyl)piperazin-1-yl]methanone;hydrochloride has a molecular weight of 376.86 g/mol, XLogP of 3.03, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3,4-dihydro-1H-isochromen-1-yl-[2-(3-fluorophenyl)piperazin-1-yl]methanone;hydrochloride is sourced from PubChem (CID 120736755), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).