N-[4-[3-(5-fluoro-1H-indol-2-yl)phenyl]cyclohexyl]-1-propan-2-ylpiperidin-4-amine

C28H36FN3 — CID 129073433

IUPACN-[4-[3-(5-fluoro-1H-indol-2-yl)phenyl]cyclohexyl]-1-propan-2-ylpiperidin-4-amine
SMILESCC(C)N1CCC(NC2CCC(c3cccc(-c4cc5cc(F)ccc5[nH]4)c3)CC2)CC1
InChIInChI=1S/C28H36FN3/c1-19(2)32-14-12-26(13-15-32)30-25-9-6-20(7-10-25)21-4-3-5-22(16-21)28-18-23-17-24(29)8-11-27(23)31-28/h3-5,8,11,16-20,25-26,30-31H,6-7,9-10,12-15H2,1-2H3
InChIKeyPILBHAWLGPGBMJ-UHFFFAOYSA-N
MW433.62 g/mol
LogP6.46
Rot. Bonds5

About N-[4-[3-(5-fluoro-1H-indol-2-yl)phenyl]cyclohexyl]-1-propan-2-ylpiperidin-4-amine

N-[4-[3-(5-fluoro-1H-indol-2-yl)phenyl]cyclohexyl]-1-propan-2-ylpiperidin-4-amine (PubChem CID 129073433) has the molecular formula C28H36FN3 and a molecular weight of 433.62 g/mol. Its IUPAC name is N-[4-[3-(5-fluoro-1H-indol-2-yl)phenyl]cyclohexyl]-1-propan-2-ylpiperidin-4-amine.

Molecular Properties

Compound NameN-[4-[3-(5-fluoro-1H-indol-2-yl)phenyl]cyclohexyl]-1-propan-2-ylpiperidin-4-amine
PubChem CID129073433
Molecular FormulaC28H36FN3
Molecular Weight433.62 g/mol
Exact Mass433.29
IUPAC NameN-[4-[3-(5-fluoro-1H-indol-2-yl)phenyl]cyclohexyl]-1-propan-2-ylpiperidin-4-amine
SMILESCC(C)N1CCC(NC2CCC(c3cccc(-c4cc5cc(F)ccc5[nH]4)c3)CC2)CC1
InChIInChI=1S/C28H36FN3/c1-19(2)32-14-12-26(13-15-32)30-25-9-6-20(7-10-25)21-4-3-5-22(16-21)28-18-23-17-24(29)8-11-27(23)31-28/h3-5,8,11,16-20,25-26,30-31H,6-7,9-10,12-15H2,1-2H3
InChIKeyPILBHAWLGPGBMJ-UHFFFAOYSA-N
XLogP6.46
TPSA31.06 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500433.62
LogP ≤ 56.46
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-[4-[3-(5-fluoro-1H-indol-2-yl)phenyl]cyclohexyl]-1-propan-2-ylpiperidin-4-amine?
The IUPAC name of N-[4-[3-(5-fluoro-1H-indol-2-yl)phenyl]cyclohexyl]-1-propan-2-ylpiperidin-4-amine (CID 129073433) is N-[4-[3-(5-fluoro-1H-indol-2-yl)phenyl]cyclohexyl]-1-propan-2-ylpiperidin-4-amine.
What is the SMILES notation for N-[4-[3-(5-fluoro-1H-indol-2-yl)phenyl]cyclohexyl]-1-propan-2-ylpiperidin-4-amine?
The canonical SMILES for N-[4-[3-(5-fluoro-1H-indol-2-yl)phenyl]cyclohexyl]-1-propan-2-ylpiperidin-4-amine is CC(C)N1CCC(NC2CCC(c3cccc(-c4cc5cc(F)ccc5[nH]4)c3)CC2)CC1.
What is the InChIKey of N-[4-[3-(5-fluoro-1H-indol-2-yl)phenyl]cyclohexyl]-1-propan-2-ylpiperidin-4-amine?
The InChIKey is PILBHAWLGPGBMJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H36FN3/c1-19(2)32-14-12-26(13-15-32)30-25-9-6-20(7-10-25)21-4-3-5-22(16-21)28-18-23-17-24(29)8-11-27(23)31-28/h3-5,8,11,16-20,25-26,30-31H,6-7,9-10,12-15H2,1-2H3.
What are the key properties of N-[4-[3-(5-fluoro-1H-indol-2-yl)phenyl]cyclohexyl]-1-propan-2-ylpiperidin-4-amine?
N-[4-[3-(5-fluoro-1H-indol-2-yl)phenyl]cyclohexyl]-1-propan-2-ylpiperidin-4-amine has a molecular weight of 433.62 g/mol, XLogP of 6.46, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[3-(5-fluoro-1H-indol-2-yl)phenyl]cyclohexyl]-1-propan-2-ylpiperidin-4-amine is sourced from PubChem (CID 129073433), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).