1-[4-[(6-fluoronaphthalen-2-yl)methyl]-3,5-dimethylpiperazin-1-yl]-2-hydroxyethanone

C19H23FN2O2 — CID 135128467

IUPAC1-[4-[(6-fluoronaphthalen-2-yl)methyl]-3,5-dimethylpiperazin-1-yl]-2-hydroxyethanone
SMILESCC1CN(C(=O)CO)CC(C)N1Cc1ccc2cc(F)ccc2c1
InChIInChI=1S/C19H23FN2O2/c1-13-9-21(19(24)12-23)10-14(2)22(13)11-15-3-4-17-8-18(20)6-5-16(17)7-15/h3-8,13-14,23H,9-12H2,1-2H3
InChIKeyPYDXGZFGWNKVGO-UHFFFAOYSA-N
MW330.40 g/mol
LogP2.39
Rot. Bonds3

About 1-[4-[(6-fluoronaphthalen-2-yl)methyl]-3,5-dimethylpiperazin-1-yl]-2-hydroxyethanone

1-[4-[(6-fluoronaphthalen-2-yl)methyl]-3,5-dimethylpiperazin-1-yl]-2-hydroxyethanone (PubChem CID 135128467) has the molecular formula C19H23FN2O2 and a molecular weight of 330.40 g/mol. Its IUPAC name is 1-[4-[(6-fluoronaphthalen-2-yl)methyl]-3,5-dimethylpiperazin-1-yl]-2-hydroxyethanone.

Molecular Properties

Compound Name1-[4-[(6-fluoronaphthalen-2-yl)methyl]-3,5-dimethylpiperazin-1-yl]-2-hydroxyethanone
PubChem CID135128467
Molecular FormulaC19H23FN2O2
Molecular Weight330.40 g/mol
Exact Mass330.17
IUPAC Name1-[4-[(6-fluoronaphthalen-2-yl)methyl]-3,5-dimethylpiperazin-1-yl]-2-hydroxyethanone
SMILESCC1CN(C(=O)CO)CC(C)N1Cc1ccc2cc(F)ccc2c1
InChIInChI=1S/C19H23FN2O2/c1-13-9-21(19(24)12-23)10-14(2)22(13)11-15-3-4-17-8-18(20)6-5-16(17)7-15/h3-8,13-14,23H,9-12H2,1-2H3
InChIKeyPYDXGZFGWNKVGO-UHFFFAOYSA-N
XLogP2.39
TPSA43.78 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.40
LogP ≤ 52.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-[4-[(6-fluoronaphthalen-2-yl)methyl]-3,5-dimethylpiperazin-1-yl]-2-hydroxyethanone?
The IUPAC name of 1-[4-[(6-fluoronaphthalen-2-yl)methyl]-3,5-dimethylpiperazin-1-yl]-2-hydroxyethanone (CID 135128467) is 1-[4-[(6-fluoronaphthalen-2-yl)methyl]-3,5-dimethylpiperazin-1-yl]-2-hydroxyethanone.
What is the SMILES notation for 1-[4-[(6-fluoronaphthalen-2-yl)methyl]-3,5-dimethylpiperazin-1-yl]-2-hydroxyethanone?
The canonical SMILES for 1-[4-[(6-fluoronaphthalen-2-yl)methyl]-3,5-dimethylpiperazin-1-yl]-2-hydroxyethanone is CC1CN(C(=O)CO)CC(C)N1Cc1ccc2cc(F)ccc2c1.
What is the InChIKey of 1-[4-[(6-fluoronaphthalen-2-yl)methyl]-3,5-dimethylpiperazin-1-yl]-2-hydroxyethanone?
The InChIKey is PYDXGZFGWNKVGO-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23FN2O2/c1-13-9-21(19(24)12-23)10-14(2)22(13)11-15-3-4-17-8-18(20)6-5-16(17)7-15/h3-8,13-14,23H,9-12H2,1-2H3.
What are the key properties of 1-[4-[(6-fluoronaphthalen-2-yl)methyl]-3,5-dimethylpiperazin-1-yl]-2-hydroxyethanone?
1-[4-[(6-fluoronaphthalen-2-yl)methyl]-3,5-dimethylpiperazin-1-yl]-2-hydroxyethanone has a molecular weight of 330.40 g/mol, XLogP of 2.39, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-[(6-fluoronaphthalen-2-yl)methyl]-3,5-dimethylpiperazin-1-yl]-2-hydroxyethanone is sourced from PubChem (CID 135128467), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).