6-fluoro-3-[[4-(2-methoxyphenyl)piperazin-1-yl]methyl]-3,4-dihydro-2H-naphthalen-1-one

C22H25FN2O2 — CID 18381986

IUPAC6-fluoro-3-[[4-(2-methoxyphenyl)piperazin-1-yl]methyl]-3,4-dihydro-2H-naphthalen-1-one
SMILESCOc1ccccc1N1CCN(CC2CC(=O)c3ccc(F)cc3C2)CC1
InChIInChI=1S/C22H25FN2O2/c1-27-22-5-3-2-4-20(22)25-10-8-24(9-11-25)15-16-12-17-14-18(23)6-7-19(17)21(26)13-16/h2-7,14,16H,8-13,15H2,1H3
InChIKeySBJDZTXDGUKRTR-UHFFFAOYSA-N
MW368.45 g/mol
LogP3.40
Rot. Bonds4

About 6-fluoro-3-[[4-(2-methoxyphenyl)piperazin-1-yl]methyl]-3,4-dihydro-2H-naphthalen-1-one

6-fluoro-3-[[4-(2-methoxyphenyl)piperazin-1-yl]methyl]-3,4-dihydro-2H-naphthalen-1-one (PubChem CID 18381986) has the molecular formula C22H25FN2O2 and a molecular weight of 368.45 g/mol. Its IUPAC name is 6-fluoro-3-[[4-(2-methoxyphenyl)piperazin-1-yl]methyl]-3,4-dihydro-2H-naphthalen-1-one.

Molecular Properties

Compound Name6-fluoro-3-[[4-(2-methoxyphenyl)piperazin-1-yl]methyl]-3,4-dihydro-2H-naphthalen-1-one
PubChem CID18381986
Molecular FormulaC22H25FN2O2
Molecular Weight368.45 g/mol
Exact Mass368.19
IUPAC Name6-fluoro-3-[[4-(2-methoxyphenyl)piperazin-1-yl]methyl]-3,4-dihydro-2H-naphthalen-1-one
SMILESCOc1ccccc1N1CCN(CC2CC(=O)c3ccc(F)cc3C2)CC1
InChIInChI=1S/C22H25FN2O2/c1-27-22-5-3-2-4-20(22)25-10-8-24(9-11-25)15-16-12-17-14-18(23)6-7-19(17)21(26)13-16/h2-7,14,16H,8-13,15H2,1H3
InChIKeySBJDZTXDGUKRTR-UHFFFAOYSA-N
XLogP3.40
TPSA32.78 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.45
LogP ≤ 53.40
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 6-fluoro-3-[[4-(2-methoxyphenyl)piperazin-1-yl]methyl]-3,4-dihydro-2H-naphthalen-1-one?
The IUPAC name of 6-fluoro-3-[[4-(2-methoxyphenyl)piperazin-1-yl]methyl]-3,4-dihydro-2H-naphthalen-1-one (CID 18381986) is 6-fluoro-3-[[4-(2-methoxyphenyl)piperazin-1-yl]methyl]-3,4-dihydro-2H-naphthalen-1-one.
What is the SMILES notation for 6-fluoro-3-[[4-(2-methoxyphenyl)piperazin-1-yl]methyl]-3,4-dihydro-2H-naphthalen-1-one?
The canonical SMILES for 6-fluoro-3-[[4-(2-methoxyphenyl)piperazin-1-yl]methyl]-3,4-dihydro-2H-naphthalen-1-one is COc1ccccc1N1CCN(CC2CC(=O)c3ccc(F)cc3C2)CC1.
What is the InChIKey of 6-fluoro-3-[[4-(2-methoxyphenyl)piperazin-1-yl]methyl]-3,4-dihydro-2H-naphthalen-1-one?
The InChIKey is SBJDZTXDGUKRTR-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H25FN2O2/c1-27-22-5-3-2-4-20(22)25-10-8-24(9-11-25)15-16-12-17-14-18(23)6-7-19(17)21(26)13-16/h2-7,14,16H,8-13,15H2,1H3.
What are the key properties of 6-fluoro-3-[[4-(2-methoxyphenyl)piperazin-1-yl]methyl]-3,4-dihydro-2H-naphthalen-1-one?
6-fluoro-3-[[4-(2-methoxyphenyl)piperazin-1-yl]methyl]-3,4-dihydro-2H-naphthalen-1-one has a molecular weight of 368.45 g/mol, XLogP of 3.40, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-fluoro-3-[[4-(2-methoxyphenyl)piperazin-1-yl]methyl]-3,4-dihydro-2H-naphthalen-1-one is sourced from PubChem (CID 18381986), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).