(2-fluoro-4-methylphenyl)-[4-[(2R)-1,2,3,4-tetrahydronaphthalen-2-yl]piperazin-1-yl]methanone

C22H25FN2O — CID 95708503

IUPAC(2-fluoro-4-methylphenyl)-[4-[(2R)-1,2,3,4-tetrahydronaphthalen-2-yl]piperazin-1-yl]methanone
SMILESCc1ccc(C(=O)N2CCN([C@@H]3CCc4ccccc4C3)CC2)c(F)c1
InChIInChI=1S/C22H25FN2O/c1-16-6-9-20(21(23)14-16)22(26)25-12-10-24(11-13-25)19-8-7-17-4-2-3-5-18(17)15-19/h2-6,9,14,19H,7-8,10-13,15H2,1H3/t19-/m1/s1
InChIKeyFWZYAEKHBMJJGW-LJQANCHMSA-N
MW352.45 g/mol
LogP3.45
Rot. Bonds2

About (2-fluoro-4-methylphenyl)-[4-[(2R)-1,2,3,4-tetrahydronaphthalen-2-yl]piperazin-1-yl]methanone

(2-fluoro-4-methylphenyl)-[4-[(2R)-1,2,3,4-tetrahydronaphthalen-2-yl]piperazin-1-yl]methanone (PubChem CID 95708503) has the molecular formula C22H25FN2O and a molecular weight of 352.45 g/mol. Its IUPAC name is (2-fluoro-4-methylphenyl)-[4-[(2R)-1,2,3,4-tetrahydronaphthalen-2-yl]piperazin-1-yl]methanone.

Molecular Properties

Compound Name(2-fluoro-4-methylphenyl)-[4-[(2R)-1,2,3,4-tetrahydronaphthalen-2-yl]piperazin-1-yl]methanone
PubChem CID95708503
Molecular FormulaC22H25FN2O
Molecular Weight352.45 g/mol
Exact Mass352.20
IUPAC Name(2-fluoro-4-methylphenyl)-[4-[(2R)-1,2,3,4-tetrahydronaphthalen-2-yl]piperazin-1-yl]methanone
SMILESCc1ccc(C(=O)N2CCN([C@@H]3CCc4ccccc4C3)CC2)c(F)c1
InChIInChI=1S/C22H25FN2O/c1-16-6-9-20(21(23)14-16)22(26)25-12-10-24(11-13-25)19-8-7-17-4-2-3-5-18(17)15-19/h2-6,9,14,19H,7-8,10-13,15H2,1H3/t19-/m1/s1
InChIKeyFWZYAEKHBMJJGW-LJQANCHMSA-N
XLogP3.45
TPSA23.55 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.45
LogP ≤ 53.45
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze (2-fluoro-4-methylphenyl)-[4-[(2R)-1,2,3,4-tetrahydronaphthalen-2-yl]piperazin-1-yl]methanone with MolForge

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Related Compounds

(5-methyl-1H-imidazol-4-yl)-[4-[(2S)-1,2,3,4-tetrahydronaphthalen-2-yl]piperazin-1-yl]methanone
CID 95469001
3-[4-[(2R)-1,2,3,4-tetrahydronaphthalen-2-yl]piperazine-1-carbonyl]-1,5,6,7-tetrahydrocyclopenta[b]pyridin-2-one
CID 95729823
[4-(1,2,3,4-tetrahydronaphthalen-2-yl)piperazin-1-yl]-(4,5,6,7-tetrahydropyrazolo[1,5-a]pyridin-3-yl)methanone
CID 56887001
(2-fluoro-4-methylphenyl)-(4-hydroxy-4-methylpiperidin-1-yl)methanone
CID 70215265
(1-ethyl-5-methylpyrazol-3-yl)-[4-[(2S)-1,2,3,4-tetrahydronaphthalen-2-yl]piperazin-1-yl]methanone
CID 95709451
(7-methylpyrazolo[1,5-a]pyrimidin-6-yl)-[4-[(2S)-1,2,3,4-tetrahydronaphthalen-2-yl]piperazin-1-yl]methanone
CID 95726043
1-(6-methyl-1,2,3,4-tetrahydronaphthalen-2-yl)aziridine
CID 138553639
(1-methylpyrazol-4-yl)-[4-[(2S)-1,2,3,4-tetrahydronaphthalen-2-yl]piperazin-1-yl]methanone
CID 95720627
quinoxalin-5-yl-[4-[(2S)-1,2,3,4-tetrahydronaphthalen-2-yl]piperazin-1-yl]methanone
CID 95725882
1H-indol-2-yl-[4-[(2R)-1,2,3,4-tetrahydronaphthalen-2-yl]piperazin-1-yl]methanone
CID 95727435
(2-ethyl-4-pyridinyl)-[4-(1,2,3,4-tetrahydronaphthalen-2-yl)piperazin-1-yl]methanone
CID 56913190
[2-(methylamino)-4-pyridinyl]-[4-(1,2,3,4-tetrahydronaphthalen-2-yl)piperazin-1-yl]methanone
CID 56908104

Frequently Asked Questions

What is the IUPAC name of (2-fluoro-4-methylphenyl)-[4-[(2R)-1,2,3,4-tetrahydronaphthalen-2-yl]piperazin-1-yl]methanone?
The IUPAC name of (2-fluoro-4-methylphenyl)-[4-[(2R)-1,2,3,4-tetrahydronaphthalen-2-yl]piperazin-1-yl]methanone (CID 95708503) is (2-fluoro-4-methylphenyl)-[4-[(2R)-1,2,3,4-tetrahydronaphthalen-2-yl]piperazin-1-yl]methanone.
What is the SMILES notation for (2-fluoro-4-methylphenyl)-[4-[(2R)-1,2,3,4-tetrahydronaphthalen-2-yl]piperazin-1-yl]methanone?
The canonical SMILES for (2-fluoro-4-methylphenyl)-[4-[(2R)-1,2,3,4-tetrahydronaphthalen-2-yl]piperazin-1-yl]methanone is Cc1ccc(C(=O)N2CCN([C@@H]3CCc4ccccc4C3)CC2)c(F)c1.
What is the InChIKey of (2-fluoro-4-methylphenyl)-[4-[(2R)-1,2,3,4-tetrahydronaphthalen-2-yl]piperazin-1-yl]methanone?
The InChIKey is FWZYAEKHBMJJGW-LJQANCHMSA-N. The full InChI is InChI=1S/C22H25FN2O/c1-16-6-9-20(21(23)14-16)22(26)25-12-10-24(11-13-25)19-8-7-17-4-2-3-5-18(17)15-19/h2-6,9,14,19H,7-8,10-13,15H2,1H3/t19-/m1/s1.
What are the key properties of (2-fluoro-4-methylphenyl)-[4-[(2R)-1,2,3,4-tetrahydronaphthalen-2-yl]piperazin-1-yl]methanone?
(2-fluoro-4-methylphenyl)-[4-[(2R)-1,2,3,4-tetrahydronaphthalen-2-yl]piperazin-1-yl]methanone has a molecular weight of 352.45 g/mol, XLogP of 3.45, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2-fluoro-4-methylphenyl)-[4-[(2R)-1,2,3,4-tetrahydronaphthalen-2-yl]piperazin-1-yl]methanone is sourced from PubChem (CID 95708503), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).