4-fluoro-1-methylpiperidine;1-(4-methoxyphenyl)indole-5-carbaldehyde

C22H25FN2O2 — CID 163260935

IUPAC4-fluoro-1-methylpiperidine;1-(4-methoxyphenyl)indole-5-carbaldehyde
SMILESCN1CCC(F)CC1.COc1ccc(-n2ccc3cc(C=O)ccc32)cc1
InChIInChI=1S/C16H13NO2.C6H12FN/c1-19-15-5-3-14(4-6-15)17-9-8-13-10-12(11-18)2-7-16(13)17;1-8-4-2-6(7)3-5-8/h2-11H,1H3;6H,2-5H2,1H3
InChIKeyMJFVIBPWAHMVSH-UHFFFAOYSA-N
MW368.45 g/mol
LogP4.50
Rot. Bonds3

About 4-fluoro-1-methylpiperidine;1-(4-methoxyphenyl)indole-5-carbaldehyde

4-fluoro-1-methylpiperidine;1-(4-methoxyphenyl)indole-5-carbaldehyde (PubChem CID 163260935) has the molecular formula C22H25FN2O2 and a molecular weight of 368.45 g/mol. Its IUPAC name is 4-fluoro-1-methylpiperidine;1-(4-methoxyphenyl)indole-5-carbaldehyde.

Molecular Properties

Compound Name4-fluoro-1-methylpiperidine;1-(4-methoxyphenyl)indole-5-carbaldehyde
PubChem CID163260935
Molecular FormulaC22H25FN2O2
Molecular Weight368.45 g/mol
Exact Mass368.19
IUPAC Name4-fluoro-1-methylpiperidine;1-(4-methoxyphenyl)indole-5-carbaldehyde
SMILESCN1CCC(F)CC1.COc1ccc(-n2ccc3cc(C=O)ccc32)cc1
InChIInChI=1S/C16H13NO2.C6H12FN/c1-19-15-5-3-14(4-6-15)17-9-8-13-10-12(11-18)2-7-16(13)17;1-8-4-2-6(7)3-5-8/h2-11H,1H3;6H,2-5H2,1H3
InChIKeyMJFVIBPWAHMVSH-UHFFFAOYSA-N
XLogP4.50
TPSA34.47 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.45
LogP ≤ 54.50
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 4-fluoro-1-methylpiperidine;1-(4-methoxyphenyl)indole-5-carbaldehyde with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-[4-(4-methylpiperazin-1-yl)phenyl]indole-6-carbaldehyde
CID 89494117
4-fluoro-1-methylpiperidine;2-[6-formyl-3-(4-methoxyphenyl)imidazo[4,5-b]pyridin-2-yl]acetonitrile
CID 156811140
1-[(2-fluoro-4-methoxyphenyl)methyl]indole-5-carbaldehyde
CID 102910663
(2R,3R,4S,5S)-2-[4-(5-methoxyindol-1-yl)phenoxy]oxane-3,4,5-triol
CID 177165380
1,5,6-tris(4-methoxyphenyl)indole
CID 174980314
4-methoxy(1,2,3,4,5,6-13C6)cyclohexa-1,3,5-triene-1-carbaldehyde
CID 46780459
1-(4-chlorophenyl)indole-6-carbaldehyde
CID 122476059
1-cyclopentylindole-5-carbaldehyde
CID 115115491
9-(4-formylphenyl)-6-[6-[6-methoxy-9-(4-methoxyphenyl)carbazol-3-yl]-9-(4-methoxyphenyl)carbazol-3-yl]carbazole-3-carbaldehyde
CID 148796534
4-(4-methoxyphenyl)-2,3-dihydro-1H-cyclopenta[b]indole-7-carbaldehyde
CID 58454912
6-(4-methylpiperidin-1-yl)naphthalene-2-carbaldehyde
CID 151129511
methyl 5-formylindole-1-carboxylate
CID 59927720

Frequently Asked Questions

What is the IUPAC name of 4-fluoro-1-methylpiperidine;1-(4-methoxyphenyl)indole-5-carbaldehyde?
The IUPAC name of 4-fluoro-1-methylpiperidine;1-(4-methoxyphenyl)indole-5-carbaldehyde (CID 163260935) is 4-fluoro-1-methylpiperidine;1-(4-methoxyphenyl)indole-5-carbaldehyde.
What is the SMILES notation for 4-fluoro-1-methylpiperidine;1-(4-methoxyphenyl)indole-5-carbaldehyde?
The canonical SMILES for 4-fluoro-1-methylpiperidine;1-(4-methoxyphenyl)indole-5-carbaldehyde is CN1CCC(F)CC1.COc1ccc(-n2ccc3cc(C=O)ccc32)cc1.
What is the InChIKey of 4-fluoro-1-methylpiperidine;1-(4-methoxyphenyl)indole-5-carbaldehyde?
The InChIKey is MJFVIBPWAHMVSH-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H13NO2.C6H12FN/c1-19-15-5-3-14(4-6-15)17-9-8-13-10-12(11-18)2-7-16(13)17;1-8-4-2-6(7)3-5-8/h2-11H,1H3;6H,2-5H2,1H3.
What are the key properties of 4-fluoro-1-methylpiperidine;1-(4-methoxyphenyl)indole-5-carbaldehyde?
4-fluoro-1-methylpiperidine;1-(4-methoxyphenyl)indole-5-carbaldehyde has a molecular weight of 368.45 g/mol, XLogP of 4.50, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-fluoro-1-methylpiperidine;1-(4-methoxyphenyl)indole-5-carbaldehyde is sourced from PubChem (CID 163260935), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).