(2-fluorophenyl)-[4-[(2-methoxynaphthalen-1-yl)methyl]piperazin-1-yl]methanone

C23H23FN2O2 — CID 1112882

IUPAC(2-fluorophenyl)-[4-[(2-methoxynaphthalen-1-yl)methyl]piperazin-1-yl]methanone
SMILESCOc1ccc2ccccc2c1CN1CCN(C(=O)c2ccccc2F)CC1
InChIInChI=1S/C23H23FN2O2/c1-28-22-11-10-17-6-2-3-7-18(17)20(22)16-25-12-14-26(15-13-25)23(27)19-8-4-5-9-21(19)24/h2-11H,12-16H2,1H3
InChIKeyLHPRSCATENTPER-UHFFFAOYSA-N
MW378.45 g/mol
LogP3.95
Rot. Bonds4

About (2-fluorophenyl)-[4-[(2-methoxynaphthalen-1-yl)methyl]piperazin-1-yl]methanone

(2-fluorophenyl)-[4-[(2-methoxynaphthalen-1-yl)methyl]piperazin-1-yl]methanone (PubChem CID 1112882) has the molecular formula C23H23FN2O2 and a molecular weight of 378.45 g/mol. Its IUPAC name is (2-fluorophenyl)-[4-[(2-methoxynaphthalen-1-yl)methyl]piperazin-1-yl]methanone.

Molecular Properties

Compound Name(2-fluorophenyl)-[4-[(2-methoxynaphthalen-1-yl)methyl]piperazin-1-yl]methanone
PubChem CID1112882
Molecular FormulaC23H23FN2O2
Molecular Weight378.45 g/mol
Exact Mass378.17
IUPAC Name(2-fluorophenyl)-[4-[(2-methoxynaphthalen-1-yl)methyl]piperazin-1-yl]methanone
SMILESCOc1ccc2ccccc2c1CN1CCN(C(=O)c2ccccc2F)CC1
InChIInChI=1S/C23H23FN2O2/c1-28-22-11-10-17-6-2-3-7-18(17)20(22)16-25-12-14-26(15-13-25)23(27)19-8-4-5-9-21(19)24/h2-11H,12-16H2,1H3
InChIKeyLHPRSCATENTPER-UHFFFAOYSA-N
XLogP3.95
TPSA32.78 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500378.45
LogP ≤ 53.95
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

(2-fluorophenyl)-[4-[(2,3,4-trimethoxyphenyl)methyl]piperazin-1-yl]methanone
CID 1122393
furan-2-yl-[4-[(2-methoxynaphthalen-1-yl)methyl]piperazin-1-yl]methanone;oxalic acid
CID 17366521
2-[4-[(2-methoxynaphthalen-1-yl)methyl]piperazin-1-yl]-1-piperidin-1-ylethanone
CID 112800157
(2-fluorophenyl)-[4-(2-methoxy-5-methylbenzoyl)piperazin-1-yl]methanone
CID 33466313
(4-methylphenyl)methyl 4-[(2-methoxynaphthalen-1-yl)methyl]piperazine-1-carboxylate
CID 6733025
naphthalen-1-yl-[4-[(2,4,5-trimethoxyphenyl)methyl]piperazin-1-yl]methanone
CID 1122414
3-[4-[(2-methoxynaphthalen-1-yl)methyl]piperazin-1-yl]propan-1-amine
CID 54855934
(1-methoxynaphthalen-2-yl)-[4-[(3,4,5-trimethoxyphenyl)methyl]piperazin-1-yl]methanone
CID 14676158
[2-(difluoromethoxy)phenyl]methyl 4-[(2-methoxynaphthalen-1-yl)methyl]piperazine-1-carboxylate
CID 6711009
1-[4-(2-fluorobenzoyl)piperazin-1-yl]-2-(3-fluoro-4-methoxyphenyl)ethanone
CID 99612260
(2-methoxyphenyl)-[4-[(2-methyl-1H-indol-3-yl)methyl]piperazin-1-yl]methanone
CID 110397387
(2,6-dimethoxyphenyl)-[4-(naphthalen-1-ylmethyl)piperazin-1-yl]methanone
CID 1112837

Frequently Asked Questions

What is the IUPAC name of (2-fluorophenyl)-[4-[(2-methoxynaphthalen-1-yl)methyl]piperazin-1-yl]methanone?
The IUPAC name of (2-fluorophenyl)-[4-[(2-methoxynaphthalen-1-yl)methyl]piperazin-1-yl]methanone (CID 1112882) is (2-fluorophenyl)-[4-[(2-methoxynaphthalen-1-yl)methyl]piperazin-1-yl]methanone.
What is the SMILES notation for (2-fluorophenyl)-[4-[(2-methoxynaphthalen-1-yl)methyl]piperazin-1-yl]methanone?
The canonical SMILES for (2-fluorophenyl)-[4-[(2-methoxynaphthalen-1-yl)methyl]piperazin-1-yl]methanone is COc1ccc2ccccc2c1CN1CCN(C(=O)c2ccccc2F)CC1.
What is the InChIKey of (2-fluorophenyl)-[4-[(2-methoxynaphthalen-1-yl)methyl]piperazin-1-yl]methanone?
The InChIKey is LHPRSCATENTPER-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H23FN2O2/c1-28-22-11-10-17-6-2-3-7-18(17)20(22)16-25-12-14-26(15-13-25)23(27)19-8-4-5-9-21(19)24/h2-11H,12-16H2,1H3.
What are the key properties of (2-fluorophenyl)-[4-[(2-methoxynaphthalen-1-yl)methyl]piperazin-1-yl]methanone?
(2-fluorophenyl)-[4-[(2-methoxynaphthalen-1-yl)methyl]piperazin-1-yl]methanone has a molecular weight of 378.45 g/mol, XLogP of 3.95, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2-fluorophenyl)-[4-[(2-methoxynaphthalen-1-yl)methyl]piperazin-1-yl]methanone is sourced from PubChem (CID 1112882), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).