6-fluoro-3-[1-(3-phenylbutyl)piperidin-4-yl]-3H-indole

C23H27FN2 — CID 23592231

IUPAC6-fluoro-3-[1-(3-phenylbutyl)piperidin-4-yl]-3H-indole
SMILESCC(CCN1CCC(C2C=Nc3cc(F)ccc32)CC1)c1ccccc1
InChIInChI=1S/C23H27FN2/c1-17(18-5-3-2-4-6-18)9-12-26-13-10-19(11-14-26)22-16-25-23-15-20(24)7-8-21(22)23/h2-8,15-17,19,22H,9-14H2,1H3
InChIKeyLVLSAVPRCSEITP-UHFFFAOYSA-N
MW350.48 g/mol
LogP5.53
Rot. Bonds5

About 6-fluoro-3-[1-(3-phenylbutyl)piperidin-4-yl]-3H-indole

6-fluoro-3-[1-(3-phenylbutyl)piperidin-4-yl]-3H-indole (PubChem CID 23592231) has the molecular formula C23H27FN2 and a molecular weight of 350.48 g/mol. Its IUPAC name is 6-fluoro-3-[1-(3-phenylbutyl)piperidin-4-yl]-3H-indole.

Molecular Properties

Compound Name6-fluoro-3-[1-(3-phenylbutyl)piperidin-4-yl]-3H-indole
PubChem CID23592231
Molecular FormulaC23H27FN2
Molecular Weight350.48 g/mol
Exact Mass350.22
IUPAC Name6-fluoro-3-[1-(3-phenylbutyl)piperidin-4-yl]-3H-indole
SMILESCC(CCN1CCC(C2C=Nc3cc(F)ccc32)CC1)c1ccccc1
InChIInChI=1S/C23H27FN2/c1-17(18-5-3-2-4-6-18)9-12-26-13-10-19(11-14-26)22-16-25-23-15-20(24)7-8-21(22)23/h2-8,15-17,19,22H,9-14H2,1H3
InChIKeyLVLSAVPRCSEITP-UHFFFAOYSA-N
XLogP5.53
TPSA15.60 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500350.48
LogP ≤ 55.53
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze 6-fluoro-3-[1-(3-phenylbutyl)piperidin-4-yl]-3H-indole with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 6-fluoro-3-[1-(3-phenylbutyl)piperidin-4-yl]-3H-indole?
The IUPAC name of 6-fluoro-3-[1-(3-phenylbutyl)piperidin-4-yl]-3H-indole (CID 23592231) is 6-fluoro-3-[1-(3-phenylbutyl)piperidin-4-yl]-3H-indole.
What is the SMILES notation for 6-fluoro-3-[1-(3-phenylbutyl)piperidin-4-yl]-3H-indole?
The canonical SMILES for 6-fluoro-3-[1-(3-phenylbutyl)piperidin-4-yl]-3H-indole is CC(CCN1CCC(C2C=Nc3cc(F)ccc32)CC1)c1ccccc1.
What is the InChIKey of 6-fluoro-3-[1-(3-phenylbutyl)piperidin-4-yl]-3H-indole?
The InChIKey is LVLSAVPRCSEITP-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H27FN2/c1-17(18-5-3-2-4-6-18)9-12-26-13-10-19(11-14-26)22-16-25-23-15-20(24)7-8-21(22)23/h2-8,15-17,19,22H,9-14H2,1H3.
What are the key properties of 6-fluoro-3-[1-(3-phenylbutyl)piperidin-4-yl]-3H-indole?
6-fluoro-3-[1-(3-phenylbutyl)piperidin-4-yl]-3H-indole has a molecular weight of 350.48 g/mol, XLogP of 5.53, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-fluoro-3-[1-(3-phenylbutyl)piperidin-4-yl]-3H-indole is sourced from PubChem (CID 23592231), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).