2-[2-[4-(2-fluoro-4-hydroxyphenyl)piperidin-1-yl]phenyl]propanal

C20H22FNO2 — CID 156796896

IUPAC2-[2-[4-(2-fluoro-4-hydroxyphenyl)piperidin-1-yl]phenyl]propanal
SMILESCC(C=O)c1ccccc1N1CCC(c2ccc(O)cc2F)CC1
InChIInChI=1S/C20H22FNO2/c1-14(13-23)17-4-2-3-5-20(17)22-10-8-15(9-11-22)18-7-6-16(24)12-19(18)21/h2-7,12-15,24H,8-11H2,1H3
InChIKeyYHKDVKAOIJFUAR-UHFFFAOYSA-N
MW327.40 g/mol
LogP4.22
Rot. Bonds4

About 2-[2-[4-(2-fluoro-4-hydroxyphenyl)piperidin-1-yl]phenyl]propanal

2-[2-[4-(2-fluoro-4-hydroxyphenyl)piperidin-1-yl]phenyl]propanal (PubChem CID 156796896) has the molecular formula C20H22FNO2 and a molecular weight of 327.40 g/mol. Its IUPAC name is 2-[2-[4-(2-fluoro-4-hydroxyphenyl)piperidin-1-yl]phenyl]propanal.

Molecular Properties

Compound Name2-[2-[4-(2-fluoro-4-hydroxyphenyl)piperidin-1-yl]phenyl]propanal
PubChem CID156796896
Molecular FormulaC20H22FNO2
Molecular Weight327.40 g/mol
Exact Mass327.16
IUPAC Name2-[2-[4-(2-fluoro-4-hydroxyphenyl)piperidin-1-yl]phenyl]propanal
SMILESCC(C=O)c1ccccc1N1CCC(c2ccc(O)cc2F)CC1
InChIInChI=1S/C20H22FNO2/c1-14(13-23)17-4-2-3-5-20(17)22-10-8-15(9-11-22)18-7-6-16(24)12-19(18)21/h2-7,12-15,24H,8-11H2,1H3
InChIKeyYHKDVKAOIJFUAR-UHFFFAOYSA-N
XLogP4.22
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.40
LogP ≤ 54.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-[2-[4-(2-fluoro-4-hydroxyphenyl)piperidin-1-yl]phenyl]propanal?
The IUPAC name of 2-[2-[4-(2-fluoro-4-hydroxyphenyl)piperidin-1-yl]phenyl]propanal (CID 156796896) is 2-[2-[4-(2-fluoro-4-hydroxyphenyl)piperidin-1-yl]phenyl]propanal.
What is the SMILES notation for 2-[2-[4-(2-fluoro-4-hydroxyphenyl)piperidin-1-yl]phenyl]propanal?
The canonical SMILES for 2-[2-[4-(2-fluoro-4-hydroxyphenyl)piperidin-1-yl]phenyl]propanal is CC(C=O)c1ccccc1N1CCC(c2ccc(O)cc2F)CC1.
What is the InChIKey of 2-[2-[4-(2-fluoro-4-hydroxyphenyl)piperidin-1-yl]phenyl]propanal?
The InChIKey is YHKDVKAOIJFUAR-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22FNO2/c1-14(13-23)17-4-2-3-5-20(17)22-10-8-15(9-11-22)18-7-6-16(24)12-19(18)21/h2-7,12-15,24H,8-11H2,1H3.
What are the key properties of 2-[2-[4-(2-fluoro-4-hydroxyphenyl)piperidin-1-yl]phenyl]propanal?
2-[2-[4-(2-fluoro-4-hydroxyphenyl)piperidin-1-yl]phenyl]propanal has a molecular weight of 327.40 g/mol, XLogP of 4.22, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-[4-(2-fluoro-4-hydroxyphenyl)piperidin-1-yl]phenyl]propanal is sourced from PubChem (CID 156796896), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).