4-[[4-(2-fluoroethoxy)-3-methoxyphenyl]-phenylmethylidene]piperidine

C21H24FNO2 — CID 152605526

IUPAC4-[[4-(2-fluoroethoxy)-3-methoxyphenyl]-phenylmethylidene]piperidine
SMILESCOc1cc(C(=C2CCNCC2)c2ccccc2)ccc1OCCF
InChIInChI=1S/C21H24FNO2/c1-24-20-15-18(7-8-19(20)25-14-11-22)21(16-5-3-2-4-6-16)17-9-12-23-13-10-17/h2-8,15,23H,9-14H2,1H3
InChIKeyYYKOPXXOGKDAON-UHFFFAOYSA-N
MW341.43 g/mol
LogP4.23
Rot. Bonds6

About 4-[[4-(2-fluoroethoxy)-3-methoxyphenyl]-phenylmethylidene]piperidine

4-[[4-(2-fluoroethoxy)-3-methoxyphenyl]-phenylmethylidene]piperidine (PubChem CID 152605526) has the molecular formula C21H24FNO2 and a molecular weight of 341.43 g/mol. Its IUPAC name is 4-[[4-(2-fluoroethoxy)-3-methoxyphenyl]-phenylmethylidene]piperidine.

Molecular Properties

Compound Name4-[[4-(2-fluoroethoxy)-3-methoxyphenyl]-phenylmethylidene]piperidine
PubChem CID152605526
Molecular FormulaC21H24FNO2
Molecular Weight341.43 g/mol
Exact Mass341.18
IUPAC Name4-[[4-(2-fluoroethoxy)-3-methoxyphenyl]-phenylmethylidene]piperidine
SMILESCOc1cc(C(=C2CCNCC2)c2ccccc2)ccc1OCCF
InChIInChI=1S/C21H24FNO2/c1-24-20-15-18(7-8-19(20)25-14-11-22)21(16-5-3-2-4-6-16)17-9-12-23-13-10-17/h2-8,15,23H,9-14H2,1H3
InChIKeyYYKOPXXOGKDAON-UHFFFAOYSA-N
XLogP4.23
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.43
LogP ≤ 54.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-[(3,4-dimethoxyphenyl)-phenylmethylidene]azetidine
CID 150029849
4-(2-fluoroethoxy)-3-methoxybenzenecarbothioamide
CID 80693896
methyl 4-(2-fluoroethoxy)-3-methoxybenzoate
CID 90061966
3-methoxy-4-(2-phenylethoxy)benzoic acid
CID 18070578
1-[4-[(2-methoxyphenyl)-piperidin-4-ylidenemethyl]phenyl]ethanone
CID 23383783
[3-[(3,4-dimethoxyphenyl)-piperidin-4-ylidenemethyl]-2-pyridinyl] 2,2,2-trifluoroacetate
CID 155757199
4-(bromomethyl)-1-(2-fluoroethoxy)-2-methoxybenzene
CID 80694773
1,2-bis(2-fluoroethoxy)benzene
CID 15058677
4-[5-(4-carboxy-2-methoxyphenoxy)pentoxy]-3-methoxybenzoic acid
CID 15329160
4-[3-(4-carboxy-2-methoxyphenoxy)propoxy]-3-methoxybenzoic acid
CID 11132553
4-(2-fluoroethoxy)-3-methylbenzoic acid
CID 107673859
2-(4-acetyl-2-methoxyphenoxy)-1-(4-benzhydrylidenepiperidin-1-yl)propan-1-one
CID 143596057

Frequently Asked Questions

What is the IUPAC name of 4-[[4-(2-fluoroethoxy)-3-methoxyphenyl]-phenylmethylidene]piperidine?
The IUPAC name of 4-[[4-(2-fluoroethoxy)-3-methoxyphenyl]-phenylmethylidene]piperidine (CID 152605526) is 4-[[4-(2-fluoroethoxy)-3-methoxyphenyl]-phenylmethylidene]piperidine.
What is the SMILES notation for 4-[[4-(2-fluoroethoxy)-3-methoxyphenyl]-phenylmethylidene]piperidine?
The canonical SMILES for 4-[[4-(2-fluoroethoxy)-3-methoxyphenyl]-phenylmethylidene]piperidine is COc1cc(C(=C2CCNCC2)c2ccccc2)ccc1OCCF.
What is the InChIKey of 4-[[4-(2-fluoroethoxy)-3-methoxyphenyl]-phenylmethylidene]piperidine?
The InChIKey is YYKOPXXOGKDAON-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H24FNO2/c1-24-20-15-18(7-8-19(20)25-14-11-22)21(16-5-3-2-4-6-16)17-9-12-23-13-10-17/h2-8,15,23H,9-14H2,1H3.
What are the key properties of 4-[[4-(2-fluoroethoxy)-3-methoxyphenyl]-phenylmethylidene]piperidine?
4-[[4-(2-fluoroethoxy)-3-methoxyphenyl]-phenylmethylidene]piperidine has a molecular weight of 341.43 g/mol, XLogP of 4.23, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[4-(2-fluoroethoxy)-3-methoxyphenyl]-phenylmethylidene]piperidine is sourced from PubChem (CID 152605526), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).