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

C22H23FN2O — CID 22038296

IUPAC1-[1-[2-(4-fluorophenyl)ethyl]piperidin-4-yl]indole-6-carbaldehyde
SMILESO=Cc1ccc2ccn(C3CCN(CCc4ccc(F)cc4)CC3)c2c1
InChIInChI=1S/C22H23FN2O/c23-20-5-2-17(3-6-20)7-11-24-12-9-21(10-13-24)25-14-8-19-4-1-18(16-26)15-22(19)25/h1-6,8,14-16,21H,7,9-13H2
InChIKeyKBRDVUXKLOTGJP-UHFFFAOYSA-N
MW350.44 g/mol
LogP4.47
Rot. Bonds5

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

1-[1-[2-(4-fluorophenyl)ethyl]piperidin-4-yl]indole-6-carbaldehyde (PubChem CID 22038296) has the molecular formula C22H23FN2O and a molecular weight of 350.44 g/mol. Its IUPAC name is 1-[1-[2-(4-fluorophenyl)ethyl]piperidin-4-yl]indole-6-carbaldehyde.

Molecular Properties

Compound Name1-[1-[2-(4-fluorophenyl)ethyl]piperidin-4-yl]indole-6-carbaldehyde
PubChem CID22038296
Molecular FormulaC22H23FN2O
Molecular Weight350.44 g/mol
Exact Mass350.18
IUPAC Name1-[1-[2-(4-fluorophenyl)ethyl]piperidin-4-yl]indole-6-carbaldehyde
SMILESO=Cc1ccc2ccn(C3CCN(CCc4ccc(F)cc4)CC3)c2c1
InChIInChI=1S/C22H23FN2O/c23-20-5-2-17(3-6-20)7-11-24-12-9-21(10-13-24)25-14-8-19-4-1-18(16-26)15-22(19)25/h1-6,8,14-16,21H,7,9-13H2
InChIKeyKBRDVUXKLOTGJP-UHFFFAOYSA-N
XLogP4.47
TPSA25.24 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.44
LogP ≤ 54.47
H-Bond Donors ≤ 50
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 1-[1-[2-(4-fluorophenyl)ethyl]piperidin-4-yl]indole-6-carbaldehyde?
The IUPAC name of 1-[1-[2-(4-fluorophenyl)ethyl]piperidin-4-yl]indole-6-carbaldehyde (CID 22038296) is 1-[1-[2-(4-fluorophenyl)ethyl]piperidin-4-yl]indole-6-carbaldehyde.
What is the SMILES notation for 1-[1-[2-(4-fluorophenyl)ethyl]piperidin-4-yl]indole-6-carbaldehyde?
The canonical SMILES for 1-[1-[2-(4-fluorophenyl)ethyl]piperidin-4-yl]indole-6-carbaldehyde is O=Cc1ccc2ccn(C3CCN(CCc4ccc(F)cc4)CC3)c2c1.
What is the InChIKey of 1-[1-[2-(4-fluorophenyl)ethyl]piperidin-4-yl]indole-6-carbaldehyde?
The InChIKey is KBRDVUXKLOTGJP-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H23FN2O/c23-20-5-2-17(3-6-20)7-11-24-12-9-21(10-13-24)25-14-8-19-4-1-18(16-26)15-22(19)25/h1-6,8,14-16,21H,7,9-13H2.
What are the key properties of 1-[1-[2-(4-fluorophenyl)ethyl]piperidin-4-yl]indole-6-carbaldehyde?
1-[1-[2-(4-fluorophenyl)ethyl]piperidin-4-yl]indole-6-carbaldehyde has a molecular weight of 350.44 g/mol, XLogP of 4.47, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-[2-(4-fluorophenyl)ethyl]piperidin-4-yl]indole-6-carbaldehyde is sourced from PubChem (CID 22038296), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).