1-[[(2S)-5,5-dimethyloxolan-2-yl]methyl]-4-(3-fluoro-2-pyridinyl)piperazine

C16H24FN3O — CID 124741868

IUPAC1-[[(2S)-5,5-dimethyloxolan-2-yl]methyl]-4-(3-fluoro-2-pyridinyl)piperazine
SMILESCC1(C)CC[C@@H](CN2CCN(c3ncccc3F)CC2)O1
InChIInChI=1S/C16H24FN3O/c1-16(2)6-5-13(21-16)12-19-8-10-20(11-9-19)15-14(17)4-3-7-18-15/h3-4,7,13H,5-6,8-12H2,1-2H3/t13-/m0/s1
InChIKeyWYOAOXNFMLVUBZ-ZDUSSCGKSA-N
MW293.39 g/mol
LogP2.30
Rot. Bonds3

About 1-[[(2S)-5,5-dimethyloxolan-2-yl]methyl]-4-(3-fluoro-2-pyridinyl)piperazine

1-[[(2S)-5,5-dimethyloxolan-2-yl]methyl]-4-(3-fluoro-2-pyridinyl)piperazine (PubChem CID 124741868) has the molecular formula C16H24FN3O and a molecular weight of 293.39 g/mol. Its IUPAC name is 1-[[(2S)-5,5-dimethyloxolan-2-yl]methyl]-4-(3-fluoro-2-pyridinyl)piperazine.

Molecular Properties

Compound Name1-[[(2S)-5,5-dimethyloxolan-2-yl]methyl]-4-(3-fluoro-2-pyridinyl)piperazine
PubChem CID124741868
Molecular FormulaC16H24FN3O
Molecular Weight293.39 g/mol
Exact Mass293.19
IUPAC Name1-[[(2S)-5,5-dimethyloxolan-2-yl]methyl]-4-(3-fluoro-2-pyridinyl)piperazine
SMILESCC1(C)CC[C@@H](CN2CCN(c3ncccc3F)CC2)O1
InChIInChI=1S/C16H24FN3O/c1-16(2)6-5-13(21-16)12-19-8-10-20(11-9-19)15-14(17)4-3-7-18-15/h3-4,7,13H,5-6,8-12H2,1-2H3/t13-/m0/s1
InChIKeyWYOAOXNFMLVUBZ-ZDUSSCGKSA-N
XLogP2.30
TPSA28.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.39
LogP ≤ 52.30
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-[[(2S)-5,5-dimethyloxolan-2-yl]methyl]-4-(3-fluoro-2-pyridinyl)piperazine?
The IUPAC name of 1-[[(2S)-5,5-dimethyloxolan-2-yl]methyl]-4-(3-fluoro-2-pyridinyl)piperazine (CID 124741868) is 1-[[(2S)-5,5-dimethyloxolan-2-yl]methyl]-4-(3-fluoro-2-pyridinyl)piperazine.
What is the SMILES notation for 1-[[(2S)-5,5-dimethyloxolan-2-yl]methyl]-4-(3-fluoro-2-pyridinyl)piperazine?
The canonical SMILES for 1-[[(2S)-5,5-dimethyloxolan-2-yl]methyl]-4-(3-fluoro-2-pyridinyl)piperazine is CC1(C)CC[C@@H](CN2CCN(c3ncccc3F)CC2)O1.
What is the InChIKey of 1-[[(2S)-5,5-dimethyloxolan-2-yl]methyl]-4-(3-fluoro-2-pyridinyl)piperazine?
The InChIKey is WYOAOXNFMLVUBZ-ZDUSSCGKSA-N. The full InChI is InChI=1S/C16H24FN3O/c1-16(2)6-5-13(21-16)12-19-8-10-20(11-9-19)15-14(17)4-3-7-18-15/h3-4,7,13H,5-6,8-12H2,1-2H3/t13-/m0/s1.
What are the key properties of 1-[[(2S)-5,5-dimethyloxolan-2-yl]methyl]-4-(3-fluoro-2-pyridinyl)piperazine?
1-[[(2S)-5,5-dimethyloxolan-2-yl]methyl]-4-(3-fluoro-2-pyridinyl)piperazine has a molecular weight of 293.39 g/mol, XLogP of 2.30, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[(2S)-5,5-dimethyloxolan-2-yl]methyl]-4-(3-fluoro-2-pyridinyl)piperazine is sourced from PubChem (CID 124741868), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).