2-[5-fluoro-1-[1-(4-propan-2-ylcyclohexyl)piperidin-4-yl]indol-3-yl]ethanamine

C24H36FN3 — CID 134563338

IUPAC2-[5-fluoro-1-[1-(4-propan-2-ylcyclohexyl)piperidin-4-yl]indol-3-yl]ethanamine
SMILESCC(C)C1CCC(N2CCC(n3cc(CCN)c4cc(F)ccc43)CC2)CC1
InChIInChI=1S/C24H36FN3/c1-17(2)18-3-6-21(7-4-18)27-13-10-22(11-14-27)28-16-19(9-12-26)23-15-20(25)5-8-24(23)28/h5,8,15-18,21-22H,3-4,6-7,9-14,26H2,1-2H3
InChIKeyFCYVUOLULDUFMR-UHFFFAOYSA-N
MW385.57 g/mol
LogP5.13
Rot. Bonds5

About 2-[5-fluoro-1-[1-(4-propan-2-ylcyclohexyl)piperidin-4-yl]indol-3-yl]ethanamine

2-[5-fluoro-1-[1-(4-propan-2-ylcyclohexyl)piperidin-4-yl]indol-3-yl]ethanamine (PubChem CID 134563338) has the molecular formula C24H36FN3 and a molecular weight of 385.57 g/mol. Its IUPAC name is 2-[5-fluoro-1-[1-(4-propan-2-ylcyclohexyl)piperidin-4-yl]indol-3-yl]ethanamine.

Molecular Properties

Compound Name2-[5-fluoro-1-[1-(4-propan-2-ylcyclohexyl)piperidin-4-yl]indol-3-yl]ethanamine
PubChem CID134563338
Molecular FormulaC24H36FN3
Molecular Weight385.57 g/mol
Exact Mass385.29
IUPAC Name2-[5-fluoro-1-[1-(4-propan-2-ylcyclohexyl)piperidin-4-yl]indol-3-yl]ethanamine
SMILESCC(C)C1CCC(N2CCC(n3cc(CCN)c4cc(F)ccc43)CC2)CC1
InChIInChI=1S/C24H36FN3/c1-17(2)18-3-6-21(7-4-18)27-13-10-22(11-14-27)28-16-19(9-12-26)23-15-20(25)5-8-24(23)28/h5,8,15-18,21-22H,3-4,6-7,9-14,26H2,1-2H3
InChIKeyFCYVUOLULDUFMR-UHFFFAOYSA-N
XLogP5.13
TPSA34.19 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500385.57
LogP ≤ 55.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-[5-fluoro-1-[1-(4-propan-2-ylcyclohexyl)piperidin-4-yl]indol-3-yl]ethanamine?
The IUPAC name of 2-[5-fluoro-1-[1-(4-propan-2-ylcyclohexyl)piperidin-4-yl]indol-3-yl]ethanamine (CID 134563338) is 2-[5-fluoro-1-[1-(4-propan-2-ylcyclohexyl)piperidin-4-yl]indol-3-yl]ethanamine.
What is the SMILES notation for 2-[5-fluoro-1-[1-(4-propan-2-ylcyclohexyl)piperidin-4-yl]indol-3-yl]ethanamine?
The canonical SMILES for 2-[5-fluoro-1-[1-(4-propan-2-ylcyclohexyl)piperidin-4-yl]indol-3-yl]ethanamine is CC(C)C1CCC(N2CCC(n3cc(CCN)c4cc(F)ccc43)CC2)CC1.
What is the InChIKey of 2-[5-fluoro-1-[1-(4-propan-2-ylcyclohexyl)piperidin-4-yl]indol-3-yl]ethanamine?
The InChIKey is FCYVUOLULDUFMR-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H36FN3/c1-17(2)18-3-6-21(7-4-18)27-13-10-22(11-14-27)28-16-19(9-12-26)23-15-20(25)5-8-24(23)28/h5,8,15-18,21-22H,3-4,6-7,9-14,26H2,1-2H3.
What are the key properties of 2-[5-fluoro-1-[1-(4-propan-2-ylcyclohexyl)piperidin-4-yl]indol-3-yl]ethanamine?
2-[5-fluoro-1-[1-(4-propan-2-ylcyclohexyl)piperidin-4-yl]indol-3-yl]ethanamine has a molecular weight of 385.57 g/mol, XLogP of 5.13, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[5-fluoro-1-[1-(4-propan-2-ylcyclohexyl)piperidin-4-yl]indol-3-yl]ethanamine is sourced from PubChem (CID 134563338), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).