2-[1-[1-[2-(4-fluorophenyl)ethyl]piperidin-4-yl]ethyl]-6-hydroxybenzaldehyde

C22H26FNO2 — CID 59915467

IUPAC2-[1-[1-[2-(4-fluorophenyl)ethyl]piperidin-4-yl]ethyl]-6-hydroxybenzaldehyde
SMILESCC(c1cccc(O)c1C=O)C1CCN(CCc2ccc(F)cc2)CC1
InChIInChI=1S/C22H26FNO2/c1-16(20-3-2-4-22(26)21(20)15-25)18-10-13-24(14-11-18)12-9-17-5-7-19(23)8-6-17/h2-8,15-16,18,26H,9-14H2,1H3
InChIKeyMGONHLMWYSRFRF-UHFFFAOYSA-N
MW355.45 g/mol
LogP4.40
Rot. Bonds6

About 2-[1-[1-[2-(4-fluorophenyl)ethyl]piperidin-4-yl]ethyl]-6-hydroxybenzaldehyde

2-[1-[1-[2-(4-fluorophenyl)ethyl]piperidin-4-yl]ethyl]-6-hydroxybenzaldehyde (PubChem CID 59915467) has the molecular formula C22H26FNO2 and a molecular weight of 355.45 g/mol. Its IUPAC name is 2-[1-[1-[2-(4-fluorophenyl)ethyl]piperidin-4-yl]ethyl]-6-hydroxybenzaldehyde.

Molecular Properties

Compound Name2-[1-[1-[2-(4-fluorophenyl)ethyl]piperidin-4-yl]ethyl]-6-hydroxybenzaldehyde
PubChem CID59915467
Molecular FormulaC22H26FNO2
Molecular Weight355.45 g/mol
Exact Mass355.19
IUPAC Name2-[1-[1-[2-(4-fluorophenyl)ethyl]piperidin-4-yl]ethyl]-6-hydroxybenzaldehyde
SMILESCC(c1cccc(O)c1C=O)C1CCN(CCc2ccc(F)cc2)CC1
InChIInChI=1S/C22H26FNO2/c1-16(20-3-2-4-22(26)21(20)15-25)18-10-13-24(14-11-18)12-9-17-5-7-19(23)8-6-17/h2-8,15-16,18,26H,9-14H2,1H3
InChIKeyMGONHLMWYSRFRF-UHFFFAOYSA-N
XLogP4.40
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.45
LogP ≤ 54.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-[[1-[2-(4-fluorophenyl)ethyl]piperidin-4-yl]-hydroxymethyl]-6-methoxybenzaldehyde
CID 59915472
[1-[2-(4-fluorophenyl)ethyl]piperidin-4-yl]-(3-hydroxy-2-methylphenyl)methanone
CID 142039578
(R)-(2,3-dimethoxyphenyl)-[1-[2-(4-fluorophenyl)ethyl]piperidin-4-yl]methanol
CID 25242563
[(S)-(2,3-dimethoxyphenyl)-[1-[2-(4-fluorophenyl)ethyl]piperidin-4-yl]methyl] butanoate
CID 11080742
2-hydroxy-6-propan-2-ylbenzaldehyde
CID 45096217
1-[2-(4-fluorophenyl)ethyl]-4-[2-(4-methylpiperidin-1-yl)ethyl]piperazine
CID 84589032
1-(2-phenylethyl)-4-propan-2-ylpiperidine
CID 18683008
1-(4-fluorophenyl)-2-[1-[2-(4-fluorophenyl)ethyl]piperidin-4-yl]ethanone
CID 10360079
carbamoyl-[(4-fluorophenyl)methyl]-[(4-fluorophenyl)-[1-(2-phenylethyl)piperidin-4-yl]methyl]-methylazanium
CID 19772092
1-[1-(2-phenylethyl)piperidin-4-yl]ethanol
CID 103656947
4-[2-(4-fluorophenyl)ethyl]piperazine-1-carbaldehyde;hydrochloride
CID 141054261
1-(4-fluorophenyl)-N-[(4-fluorophenyl)methyl]-1-[1-(2-phenylethyl)piperidin-4-yl]methanamine
CID 19772037

Frequently Asked Questions

What is the IUPAC name of 2-[1-[1-[2-(4-fluorophenyl)ethyl]piperidin-4-yl]ethyl]-6-hydroxybenzaldehyde?
The IUPAC name of 2-[1-[1-[2-(4-fluorophenyl)ethyl]piperidin-4-yl]ethyl]-6-hydroxybenzaldehyde (CID 59915467) is 2-[1-[1-[2-(4-fluorophenyl)ethyl]piperidin-4-yl]ethyl]-6-hydroxybenzaldehyde.
What is the SMILES notation for 2-[1-[1-[2-(4-fluorophenyl)ethyl]piperidin-4-yl]ethyl]-6-hydroxybenzaldehyde?
The canonical SMILES for 2-[1-[1-[2-(4-fluorophenyl)ethyl]piperidin-4-yl]ethyl]-6-hydroxybenzaldehyde is CC(c1cccc(O)c1C=O)C1CCN(CCc2ccc(F)cc2)CC1.
What is the InChIKey of 2-[1-[1-[2-(4-fluorophenyl)ethyl]piperidin-4-yl]ethyl]-6-hydroxybenzaldehyde?
The InChIKey is MGONHLMWYSRFRF-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H26FNO2/c1-16(20-3-2-4-22(26)21(20)15-25)18-10-13-24(14-11-18)12-9-17-5-7-19(23)8-6-17/h2-8,15-16,18,26H,9-14H2,1H3.
What are the key properties of 2-[1-[1-[2-(4-fluorophenyl)ethyl]piperidin-4-yl]ethyl]-6-hydroxybenzaldehyde?
2-[1-[1-[2-(4-fluorophenyl)ethyl]piperidin-4-yl]ethyl]-6-hydroxybenzaldehyde has a molecular weight of 355.45 g/mol, XLogP of 4.40, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-[1-[2-(4-fluorophenyl)ethyl]piperidin-4-yl]ethyl]-6-hydroxybenzaldehyde is sourced from PubChem (CID 59915467), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).