3-[4-[3-(2-fluorophenyl)piperidin-1-yl]butyl]-1H-indole

C23H27FN2 — CID 70044838

IUPAC3-[4-[3-(2-fluorophenyl)piperidin-1-yl]butyl]-1H-indole
SMILESFc1ccccc1C1CCCN(CCCCc2c[nH]c3ccccc23)C1
InChIInChI=1S/C23H27FN2/c24-22-12-3-1-10-20(22)19-9-7-15-26(17-19)14-6-5-8-18-16-25-23-13-4-2-11-21(18)23/h1-4,10-13,16,19,25H,5-9,14-15,17H2
InChIKeyOCXXHDKWKRHOOL-UHFFFAOYSA-N
MW350.48 g/mol
LogP5.51
Rot. Bonds6

About 3-[4-[3-(2-fluorophenyl)piperidin-1-yl]butyl]-1H-indole

3-[4-[3-(2-fluorophenyl)piperidin-1-yl]butyl]-1H-indole (PubChem CID 70044838) has the molecular formula C23H27FN2 and a molecular weight of 350.48 g/mol. Its IUPAC name is 3-[4-[3-(2-fluorophenyl)piperidin-1-yl]butyl]-1H-indole.

Molecular Properties

Compound Name3-[4-[3-(2-fluorophenyl)piperidin-1-yl]butyl]-1H-indole
PubChem CID70044838
Molecular FormulaC23H27FN2
Molecular Weight350.48 g/mol
Exact Mass350.22
IUPAC Name3-[4-[3-(2-fluorophenyl)piperidin-1-yl]butyl]-1H-indole
SMILESFc1ccccc1C1CCCN(CCCCc2c[nH]c3ccccc23)C1
InChIInChI=1S/C23H27FN2/c24-22-12-3-1-10-20(22)19-9-7-15-26(17-19)14-6-5-8-18-16-25-23-13-4-2-11-21(18)23/h1-4,10-13,16,19,25H,5-9,14-15,17H2
InChIKeyOCXXHDKWKRHOOL-UHFFFAOYSA-N
XLogP5.51
TPSA19.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500350.48
LogP ≤ 55.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze 3-[4-[3-(2-fluorophenyl)piperidin-1-yl]butyl]-1H-indole 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

3-[3-[3-(3-methoxyphenyl)piperidin-1-yl]propyl]-1H-indole
CID 70046463
1-[2-(1H-indol-3-yl)ethyl]piperidin-3-ol
CID 3054781
3-(4-piperazin-1-ylbutyl)-1H-indole
CID 95465204
3-[4-[(3S)-3-benzylpiperidin-1-yl]butyl]-5-fluoro-1H-indole
CID 10133399
3-[4-[3-(3-hydroxyphenyl)piperidin-1-yl]butyl]-1H-indol-5-ol
CID 70044177
7-bromo-3-[4-(3-phenylpiperidin-1-yl)butyl]-1H-indole
CID 70046544
3-(2-pyrrolidin-1-ylethyl)-1H-indole
CID 26393
4-(2-fluorophenyl)-2-[4-[3-(1H-indol-3-yl)piperidin-1-yl]butyl]pyrido[1,2-c]pyrimidine-1,3-dione
CID 155554150
3-[4-(3-benzylpiperidin-1-yl)butyl]-5-chloro-1H-indole
CID 18330282
3-[4-(1H-indol-3-yl)butyl]-1H-indole
CID 57060044
3-[4-[3-(4-fluorophenyl)-3,6-dihydro-2H-pyridin-1-yl]butyl]-1H-indole
CID 70044157
3-[4-[3-(3-hydroxyphenyl)piperidin-1-yl]butyl]-1H-indole-6-carboxylic acid
CID 19786713

Frequently Asked Questions

What is the IUPAC name of 3-[4-[3-(2-fluorophenyl)piperidin-1-yl]butyl]-1H-indole?
The IUPAC name of 3-[4-[3-(2-fluorophenyl)piperidin-1-yl]butyl]-1H-indole (CID 70044838) is 3-[4-[3-(2-fluorophenyl)piperidin-1-yl]butyl]-1H-indole.
What is the SMILES notation for 3-[4-[3-(2-fluorophenyl)piperidin-1-yl]butyl]-1H-indole?
The canonical SMILES for 3-[4-[3-(2-fluorophenyl)piperidin-1-yl]butyl]-1H-indole is Fc1ccccc1C1CCCN(CCCCc2c[nH]c3ccccc23)C1.
What is the InChIKey of 3-[4-[3-(2-fluorophenyl)piperidin-1-yl]butyl]-1H-indole?
The InChIKey is OCXXHDKWKRHOOL-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H27FN2/c24-22-12-3-1-10-20(22)19-9-7-15-26(17-19)14-6-5-8-18-16-25-23-13-4-2-11-21(18)23/h1-4,10-13,16,19,25H,5-9,14-15,17H2.
What are the key properties of 3-[4-[3-(2-fluorophenyl)piperidin-1-yl]butyl]-1H-indole?
3-[4-[3-(2-fluorophenyl)piperidin-1-yl]butyl]-1H-indole has a molecular weight of 350.48 g/mol, XLogP of 5.51, 6 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[4-[3-(2-fluorophenyl)piperidin-1-yl]butyl]-1H-indole is sourced from PubChem (CID 70044838), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).