(2S)-1-[4-(2-fluorophenyl)piperazin-1-yl]-2-naphthalen-1-yloxybutan-1-one

C24H25FN2O2 — CID 93487207

IUPAC(2S)-1-[4-(2-fluorophenyl)piperazin-1-yl]-2-naphthalen-1-yloxybutan-1-one
SMILESCC[C@H](Oc1cccc2ccccc12)C(=O)N1CCN(c2ccccc2F)CC1
InChIInChI=1S/C24H25FN2O2/c1-2-22(29-23-13-7-9-18-8-3-4-10-19(18)23)24(28)27-16-14-26(15-17-27)21-12-6-5-11-20(21)25/h3-13,22H,2,14-17H2,1H3/t22-/m0/s1
InChIKeyUSXGTHOEHFSLNC-QFIPXVFZSA-N
MW392.47 g/mol
LogP4.49
Rot. Bonds5

About (2S)-1-[4-(2-fluorophenyl)piperazin-1-yl]-2-naphthalen-1-yloxybutan-1-one

(2S)-1-[4-(2-fluorophenyl)piperazin-1-yl]-2-naphthalen-1-yloxybutan-1-one (PubChem CID 93487207) has the molecular formula C24H25FN2O2 and a molecular weight of 392.47 g/mol. Its IUPAC name is (2S)-1-[4-(2-fluorophenyl)piperazin-1-yl]-2-naphthalen-1-yloxybutan-1-one.

Molecular Properties

Compound Name(2S)-1-[4-(2-fluorophenyl)piperazin-1-yl]-2-naphthalen-1-yloxybutan-1-one
PubChem CID93487207
Molecular FormulaC24H25FN2O2
Molecular Weight392.47 g/mol
Exact Mass392.19
IUPAC Name(2S)-1-[4-(2-fluorophenyl)piperazin-1-yl]-2-naphthalen-1-yloxybutan-1-one
SMILESCC[C@H](Oc1cccc2ccccc12)C(=O)N1CCN(c2ccccc2F)CC1
InChIInChI=1S/C24H25FN2O2/c1-2-22(29-23-13-7-9-18-8-3-4-10-19(18)23)24(28)27-16-14-26(15-17-27)21-12-6-5-11-20(21)25/h3-13,22H,2,14-17H2,1H3/t22-/m0/s1
InChIKeyUSXGTHOEHFSLNC-QFIPXVFZSA-N
XLogP4.49
TPSA32.78 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500392.47
LogP ≤ 54.49
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

(2S)-1-[4-(2-fluorophenyl)piperazin-1-yl]-2-naphthalen-2-yloxybutan-1-one
CID 38007048
(2S)-1-(4-methylpiperazin-1-yl)-2-naphthalen-1-yloxybutan-1-one
CID 92684366
(2R)-2-(2-fluorophenoxy)-1-piperidin-1-ylbutan-1-one
CID 9173642
1-[4-(2-fluorophenyl)piperazin-1-yl]-2-methylbutan-1-one
CID 42936420
(2S)-1-[4-(2,3-dimethylphenyl)piperazin-1-yl]-2-(2-methoxyphenoxy)butan-1-one
CID 40696529
2-(2-fluorophenoxy)-1-morpholin-4-ylbutan-1-one
CID 53286283
1-[2-(2-fluorophenoxy)butanoyl]piperidine-4-carboxylic acid
CID 119166431
(2R)-1-(4-ethylpiperazin-4-ium-1-yl)-2-(2-fluorophenoxy)butan-1-one
CID 9173669
(2R)-1-[4-(2-methoxyphenyl)piperazin-1-yl]-2-(3-methylphenoxy)butan-1-one
CID 28633499
1-(4-aminopiperidin-1-yl)-2-(2-fluorophenoxy)butan-1-one
CID 119377005
(2S)-2-amino-1-[4-(2-fluorophenyl)piperazin-1-yl]propan-1-one;dihydrochloride
CID 119827006
1-[4-(2-fluorophenyl)piperazin-1-yl]-2-sulfanylpropan-1-one
CID 107023626

Frequently Asked Questions

What is the IUPAC name of (2S)-1-[4-(2-fluorophenyl)piperazin-1-yl]-2-naphthalen-1-yloxybutan-1-one?
The IUPAC name of (2S)-1-[4-(2-fluorophenyl)piperazin-1-yl]-2-naphthalen-1-yloxybutan-1-one (CID 93487207) is (2S)-1-[4-(2-fluorophenyl)piperazin-1-yl]-2-naphthalen-1-yloxybutan-1-one.
What is the SMILES notation for (2S)-1-[4-(2-fluorophenyl)piperazin-1-yl]-2-naphthalen-1-yloxybutan-1-one?
The canonical SMILES for (2S)-1-[4-(2-fluorophenyl)piperazin-1-yl]-2-naphthalen-1-yloxybutan-1-one is CC[C@H](Oc1cccc2ccccc12)C(=O)N1CCN(c2ccccc2F)CC1.
What is the InChIKey of (2S)-1-[4-(2-fluorophenyl)piperazin-1-yl]-2-naphthalen-1-yloxybutan-1-one?
The InChIKey is USXGTHOEHFSLNC-QFIPXVFZSA-N. The full InChI is InChI=1S/C24H25FN2O2/c1-2-22(29-23-13-7-9-18-8-3-4-10-19(18)23)24(28)27-16-14-26(15-17-27)21-12-6-5-11-20(21)25/h3-13,22H,2,14-17H2,1H3/t22-/m0/s1.
What are the key properties of (2S)-1-[4-(2-fluorophenyl)piperazin-1-yl]-2-naphthalen-1-yloxybutan-1-one?
(2S)-1-[4-(2-fluorophenyl)piperazin-1-yl]-2-naphthalen-1-yloxybutan-1-one has a molecular weight of 392.47 g/mol, XLogP of 4.49, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-1-[4-(2-fluorophenyl)piperazin-1-yl]-2-naphthalen-1-yloxybutan-1-one is sourced from PubChem (CID 93487207), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).