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

C26H34FN5 — CID 149188584

IUPACN-[1-[3-(5-fluoro-1H-indol-2-yl)phenyl]piperidin-4-yl]-4-propan-2-ylpiperazin-1-amine
SMILESCC(C)N1CCN(NC2CCN(c3cccc(-c4cc5cc(F)ccc5[nH]4)c3)CC2)CC1
InChIInChI=1S/C26H34FN5/c1-19(2)30-12-14-32(15-13-30)29-23-8-10-31(11-9-23)24-5-3-4-20(17-24)26-18-21-16-22(27)6-7-25(21)28-26/h3-7,16-19,23,28-29H,8-15H2,1-2H3
InChIKeyXCJCYPPRQLVOEH-UHFFFAOYSA-N
MW435.59 g/mol
LogP4.47
Rot. Bonds5

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

N-[1-[3-(5-fluoro-1H-indol-2-yl)phenyl]piperidin-4-yl]-4-propan-2-ylpiperazin-1-amine (PubChem CID 149188584) has the molecular formula C26H34FN5 and a molecular weight of 435.59 g/mol. Its IUPAC name is N-[1-[3-(5-fluoro-1H-indol-2-yl)phenyl]piperidin-4-yl]-4-propan-2-ylpiperazin-1-amine.

Molecular Properties

Compound NameN-[1-[3-(5-fluoro-1H-indol-2-yl)phenyl]piperidin-4-yl]-4-propan-2-ylpiperazin-1-amine
PubChem CID149188584
Molecular FormulaC26H34FN5
Molecular Weight435.59 g/mol
Exact Mass435.28
IUPAC NameN-[1-[3-(5-fluoro-1H-indol-2-yl)phenyl]piperidin-4-yl]-4-propan-2-ylpiperazin-1-amine
SMILESCC(C)N1CCN(NC2CCN(c3cccc(-c4cc5cc(F)ccc5[nH]4)c3)CC2)CC1
InChIInChI=1S/C26H34FN5/c1-19(2)30-12-14-32(15-13-30)29-23-8-10-31(11-9-23)24-5-3-4-20(17-24)26-18-21-16-22(27)6-7-25(21)28-26/h3-7,16-19,23,28-29H,8-15H2,1-2H3
InChIKeyXCJCYPPRQLVOEH-UHFFFAOYSA-N
XLogP4.47
TPSA37.54 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500435.59
LogP ≤ 54.47
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[1-[3-(5-fluoro-1H-indol-2-yl)phenyl]piperidin-4-yl]-4-propan-2-ylpiperazin-1-amine?
The IUPAC name of N-[1-[3-(5-fluoro-1H-indol-2-yl)phenyl]piperidin-4-yl]-4-propan-2-ylpiperazin-1-amine (CID 149188584) is N-[1-[3-(5-fluoro-1H-indol-2-yl)phenyl]piperidin-4-yl]-4-propan-2-ylpiperazin-1-amine.
What is the SMILES notation for N-[1-[3-(5-fluoro-1H-indol-2-yl)phenyl]piperidin-4-yl]-4-propan-2-ylpiperazin-1-amine?
The canonical SMILES for N-[1-[3-(5-fluoro-1H-indol-2-yl)phenyl]piperidin-4-yl]-4-propan-2-ylpiperazin-1-amine is CC(C)N1CCN(NC2CCN(c3cccc(-c4cc5cc(F)ccc5[nH]4)c3)CC2)CC1.
What is the InChIKey of N-[1-[3-(5-fluoro-1H-indol-2-yl)phenyl]piperidin-4-yl]-4-propan-2-ylpiperazin-1-amine?
The InChIKey is XCJCYPPRQLVOEH-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H34FN5/c1-19(2)30-12-14-32(15-13-30)29-23-8-10-31(11-9-23)24-5-3-4-20(17-24)26-18-21-16-22(27)6-7-25(21)28-26/h3-7,16-19,23,28-29H,8-15H2,1-2H3.
What are the key properties of N-[1-[3-(5-fluoro-1H-indol-2-yl)phenyl]piperidin-4-yl]-4-propan-2-ylpiperazin-1-amine?
N-[1-[3-(5-fluoro-1H-indol-2-yl)phenyl]piperidin-4-yl]-4-propan-2-ylpiperazin-1-amine has a molecular weight of 435.59 g/mol, XLogP of 4.47, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-[3-(5-fluoro-1H-indol-2-yl)phenyl]piperidin-4-yl]-4-propan-2-ylpiperazin-1-amine is sourced from PubChem (CID 149188584), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).