(2R)-2-(3-fluoro-4-phenylphenyl)-6-piperidin-1-ylhexan-3-one

C23H28FNO — CID 167299178

IUPAC(2R)-2-(3-fluoro-4-phenylphenyl)-6-piperidin-1-ylhexan-3-one
SMILESC[C@@H](C(=O)CCCN1CCCCC1)c1ccc(-c2ccccc2)c(F)c1
InChIInChI=1S/C23H28FNO/c1-18(23(26)11-8-16-25-14-6-3-7-15-25)20-12-13-21(22(24)17-20)19-9-4-2-5-10-19/h2,4-5,9-10,12-13,17-18H,3,6-8,11,14-16H2,1H3/t18-/m1/s1
InChIKeyBGPOGANZDXOTFF-GOSISDBHSA-N
MW353.48 g/mol
LogP5.43
Rot. Bonds7

About (2R)-2-(3-fluoro-4-phenylphenyl)-6-piperidin-1-ylhexan-3-one

(2R)-2-(3-fluoro-4-phenylphenyl)-6-piperidin-1-ylhexan-3-one (PubChem CID 167299178) has the molecular formula C23H28FNO and a molecular weight of 353.48 g/mol. Its IUPAC name is (2R)-2-(3-fluoro-4-phenylphenyl)-6-piperidin-1-ylhexan-3-one.

Molecular Properties

Compound Name(2R)-2-(3-fluoro-4-phenylphenyl)-6-piperidin-1-ylhexan-3-one
PubChem CID167299178
Molecular FormulaC23H28FNO
Molecular Weight353.48 g/mol
Exact Mass353.22
IUPAC Name(2R)-2-(3-fluoro-4-phenylphenyl)-6-piperidin-1-ylhexan-3-one
SMILESC[C@@H](C(=O)CCCN1CCCCC1)c1ccc(-c2ccccc2)c(F)c1
InChIInChI=1S/C23H28FNO/c1-18(23(26)11-8-16-25-14-6-3-7-15-25)20-12-13-21(22(24)17-20)19-9-4-2-5-10-19/h2,4-5,9-10,12-13,17-18H,3,6-8,11,14-16H2,1H3/t18-/m1/s1
InChIKeyBGPOGANZDXOTFF-GOSISDBHSA-N
XLogP5.43
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500353.48
LogP ≤ 55.43
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (2R)-2-(3-fluoro-4-phenylphenyl)-6-piperidin-1-ylhexan-3-one?
The IUPAC name of (2R)-2-(3-fluoro-4-phenylphenyl)-6-piperidin-1-ylhexan-3-one (CID 167299178) is (2R)-2-(3-fluoro-4-phenylphenyl)-6-piperidin-1-ylhexan-3-one.
What is the SMILES notation for (2R)-2-(3-fluoro-4-phenylphenyl)-6-piperidin-1-ylhexan-3-one?
The canonical SMILES for (2R)-2-(3-fluoro-4-phenylphenyl)-6-piperidin-1-ylhexan-3-one is C[C@@H](C(=O)CCCN1CCCCC1)c1ccc(-c2ccccc2)c(F)c1.
What is the InChIKey of (2R)-2-(3-fluoro-4-phenylphenyl)-6-piperidin-1-ylhexan-3-one?
The InChIKey is BGPOGANZDXOTFF-GOSISDBHSA-N. The full InChI is InChI=1S/C23H28FNO/c1-18(23(26)11-8-16-25-14-6-3-7-15-25)20-12-13-21(22(24)17-20)19-9-4-2-5-10-19/h2,4-5,9-10,12-13,17-18H,3,6-8,11,14-16H2,1H3/t18-/m1/s1.
What are the key properties of (2R)-2-(3-fluoro-4-phenylphenyl)-6-piperidin-1-ylhexan-3-one?
(2R)-2-(3-fluoro-4-phenylphenyl)-6-piperidin-1-ylhexan-3-one has a molecular weight of 353.48 g/mol, XLogP of 5.43, 7 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-(3-fluoro-4-phenylphenyl)-6-piperidin-1-ylhexan-3-one is sourced from PubChem (CID 167299178), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).