1-[4-[(Z)-1-fluoro-2-(4-methoxyphenyl)ethenyl]piperidin-1-yl]-2-piperidin-1-ylethanone

C21H29FN2O2 — CID 59686465

IUPAC1-[4-[(Z)-1-fluoro-2-(4-methoxyphenyl)ethenyl]piperidin-1-yl]-2-piperidin-1-ylethanone
SMILESCOc1ccc(/C=C(\F)C2CCN(C(=O)CN3CCCCC3)CC2)cc1
InChIInChI=1S/C21H29FN2O2/c1-26-19-7-5-17(6-8-19)15-20(22)18-9-13-24(14-10-18)21(25)16-23-11-3-2-4-12-23/h5-8,15,18H,2-4,9-14,16H2,1H3/b20-15-
InChIKeyLXJBMBKZMDNADI-HKWRFOASSA-N
MW360.47 g/mol
LogP3.73
Rot. Bonds5

About 1-[4-[(Z)-1-fluoro-2-(4-methoxyphenyl)ethenyl]piperidin-1-yl]-2-piperidin-1-ylethanone

1-[4-[(Z)-1-fluoro-2-(4-methoxyphenyl)ethenyl]piperidin-1-yl]-2-piperidin-1-ylethanone (PubChem CID 59686465) has the molecular formula C21H29FN2O2 and a molecular weight of 360.47 g/mol. Its IUPAC name is 1-[4-[(Z)-1-fluoro-2-(4-methoxyphenyl)ethenyl]piperidin-1-yl]-2-piperidin-1-ylethanone.

Molecular Properties

Compound Name1-[4-[(Z)-1-fluoro-2-(4-methoxyphenyl)ethenyl]piperidin-1-yl]-2-piperidin-1-ylethanone
PubChem CID59686465
Molecular FormulaC21H29FN2O2
Molecular Weight360.47 g/mol
Exact Mass360.22
IUPAC Name1-[4-[(Z)-1-fluoro-2-(4-methoxyphenyl)ethenyl]piperidin-1-yl]-2-piperidin-1-ylethanone
SMILESCOc1ccc(/C=C(\F)C2CCN(C(=O)CN3CCCCC3)CC2)cc1
InChIInChI=1S/C21H29FN2O2/c1-26-19-7-5-17(6-8-19)15-20(22)18-9-13-24(14-10-18)21(25)16-23-11-3-2-4-12-23/h5-8,15,18H,2-4,9-14,16H2,1H3/b20-15-
InChIKeyLXJBMBKZMDNADI-HKWRFOASSA-N
XLogP3.73
TPSA32.78 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.47
LogP ≤ 53.73
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-[4-[(Z)-1-fluoro-2-(4-methoxyphenyl)ethenyl]piperidin-1-yl]-2-piperidin-1-ylethanone?
The IUPAC name of 1-[4-[(Z)-1-fluoro-2-(4-methoxyphenyl)ethenyl]piperidin-1-yl]-2-piperidin-1-ylethanone (CID 59686465) is 1-[4-[(Z)-1-fluoro-2-(4-methoxyphenyl)ethenyl]piperidin-1-yl]-2-piperidin-1-ylethanone.
What is the SMILES notation for 1-[4-[(Z)-1-fluoro-2-(4-methoxyphenyl)ethenyl]piperidin-1-yl]-2-piperidin-1-ylethanone?
The canonical SMILES for 1-[4-[(Z)-1-fluoro-2-(4-methoxyphenyl)ethenyl]piperidin-1-yl]-2-piperidin-1-ylethanone is COc1ccc(/C=C(\F)C2CCN(C(=O)CN3CCCCC3)CC2)cc1.
What is the InChIKey of 1-[4-[(Z)-1-fluoro-2-(4-methoxyphenyl)ethenyl]piperidin-1-yl]-2-piperidin-1-ylethanone?
The InChIKey is LXJBMBKZMDNADI-HKWRFOASSA-N. The full InChI is InChI=1S/C21H29FN2O2/c1-26-19-7-5-17(6-8-19)15-20(22)18-9-13-24(14-10-18)21(25)16-23-11-3-2-4-12-23/h5-8,15,18H,2-4,9-14,16H2,1H3/b20-15-.
What are the key properties of 1-[4-[(Z)-1-fluoro-2-(4-methoxyphenyl)ethenyl]piperidin-1-yl]-2-piperidin-1-ylethanone?
1-[4-[(Z)-1-fluoro-2-(4-methoxyphenyl)ethenyl]piperidin-1-yl]-2-piperidin-1-ylethanone has a molecular weight of 360.47 g/mol, XLogP of 3.73, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-[(Z)-1-fluoro-2-(4-methoxyphenyl)ethenyl]piperidin-1-yl]-2-piperidin-1-ylethanone is sourced from PubChem (CID 59686465), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).