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

C25H31FN4 — CID 140939169

IUPACN-[1-[3-(5-fluoro-1H-indol-2-yl)phenyl]piperidin-4-yl]-1-methylpiperidin-4-amine
SMILESCN1CCC(NC2CCN(c3cccc(-c4cc5cc(F)ccc5[nH]4)c3)CC2)CC1
InChIInChI=1S/C25H31FN4/c1-29-11-7-21(8-12-29)27-22-9-13-30(14-10-22)23-4-2-3-18(16-23)25-17-19-15-20(26)5-6-24(19)28-25/h2-6,15-17,21-22,27-28H,7-14H2,1H3
InChIKeyDWZSJRUNGSWIKX-UHFFFAOYSA-N
MW406.55 g/mol
LogP4.63
Rot. Bonds4

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

N-[1-[3-(5-fluoro-1H-indol-2-yl)phenyl]piperidin-4-yl]-1-methylpiperidin-4-amine (PubChem CID 140939169) has the molecular formula C25H31FN4 and a molecular weight of 406.55 g/mol. Its IUPAC name is N-[1-[3-(5-fluoro-1H-indol-2-yl)phenyl]piperidin-4-yl]-1-methylpiperidin-4-amine.

Molecular Properties

Compound NameN-[1-[3-(5-fluoro-1H-indol-2-yl)phenyl]piperidin-4-yl]-1-methylpiperidin-4-amine
PubChem CID140939169
Molecular FormulaC25H31FN4
Molecular Weight406.55 g/mol
Exact Mass406.25
IUPAC NameN-[1-[3-(5-fluoro-1H-indol-2-yl)phenyl]piperidin-4-yl]-1-methylpiperidin-4-amine
SMILESCN1CCC(NC2CCN(c3cccc(-c4cc5cc(F)ccc5[nH]4)c3)CC2)CC1
InChIInChI=1S/C25H31FN4/c1-29-11-7-21(8-12-29)27-22-9-13-30(14-10-22)23-4-2-3-18(16-23)25-17-19-15-20(26)5-6-24(19)28-25/h2-6,15-17,21-22,27-28H,7-14H2,1H3
InChIKeyDWZSJRUNGSWIKX-UHFFFAOYSA-N
XLogP4.63
TPSA34.30 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500406.55
LogP ≤ 54.63
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-[1-[3-(5-fluoro-1H-indol-2-yl)phenyl]piperidin-4-yl]-4-propan-2-ylpiperazin-1-amine
CID 149188584
N-[1-[3-(5-fluoro-1H-indol-2-yl)-4-methylphenyl]piperidin-4-yl]-1-methylpiperidin-4-amine;1-[3-(5-fluoro-1H-indol-2-yl)phenyl]-N-(1-propan-2-ylpiperidin-4-yl)piperidin-4-amine;2-[2-methyl-5-[4-[2-(4-propan-2-ylpiperazin-1-yl)ethylamino]piperidin-1-yl]phenyl]-1H-indole-5-carbonitrile;2-[3-[4-[(1-propan-2-ylpiperidin-4-yl)amino]piperidin-1-yl]phenyl]-1H-indole-5-carbonitrile
CID 165045133
N-[1-[3-(1H-indol-2-yl)phenyl]piperidin-4-yl]-9-methyl-9-azabicyclo[3.3.1]nonan-3-amine
CID 140939087
2-[3-[4-(4-methylpiperazin-1-yl)piperidin-1-yl]phenyl]-1H-indole
CID 140939131
1-[3-(1H-indol-2-yl)phenyl]-N-[3-(4-methylpiperazin-1-yl)propyl]piperidin-4-amine
CID 140939060
methyl 2-[3-[4-[(1-propan-2-ylpiperidin-4-yl)amino]piperidin-1-yl]phenyl]-1H-indole-5-carboxylate
CID 140939053
1-[3-(5,6-difluoro-1H-indol-2-yl)phenyl]-N-[2-(4-propan-2-ylpiperazin-1-yl)ethyl]piperidin-4-amine
CID 140939166
N-[2-(4-benzylpiperazin-1-yl)ethyl]-1-[3-(1H-indol-2-yl)phenyl]piperidin-4-amine
CID 140939089
N-[2-(4-butan-2-ylpiperazin-1-yl)ethyl]-1-[3-(1H-indol-2-yl)phenyl]piperidin-4-amine
CID 140939133
1-[3-(1H-indol-2-yl)phenyl]-N-(pyridin-4-ylmethyl)piperidin-4-amine
CID 146536104
2-[3-[4-[2-(2-methyl-1,2,4-triazol-3-yl)ethylamino]piperidin-1-yl]phenyl]-1H-indole-5-carbonitrile
CID 140939080
tert-butyl N-[1-[3-[5-(pentafluoro-λ6-sulfanyl)-1H-indol-2-yl]phenyl]piperidin-4-yl]-N-[2-(4-propan-2-ylpiperazin-1-yl)ethyl]carbamate
CID 140939084

Frequently Asked Questions

What is the IUPAC name of N-[1-[3-(5-fluoro-1H-indol-2-yl)phenyl]piperidin-4-yl]-1-methylpiperidin-4-amine?
The IUPAC name of N-[1-[3-(5-fluoro-1H-indol-2-yl)phenyl]piperidin-4-yl]-1-methylpiperidin-4-amine (CID 140939169) is N-[1-[3-(5-fluoro-1H-indol-2-yl)phenyl]piperidin-4-yl]-1-methylpiperidin-4-amine.
What is the SMILES notation for N-[1-[3-(5-fluoro-1H-indol-2-yl)phenyl]piperidin-4-yl]-1-methylpiperidin-4-amine?
The canonical SMILES for N-[1-[3-(5-fluoro-1H-indol-2-yl)phenyl]piperidin-4-yl]-1-methylpiperidin-4-amine is CN1CCC(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]-1-methylpiperidin-4-amine?
The InChIKey is DWZSJRUNGSWIKX-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H31FN4/c1-29-11-7-21(8-12-29)27-22-9-13-30(14-10-22)23-4-2-3-18(16-23)25-17-19-15-20(26)5-6-24(19)28-25/h2-6,15-17,21-22,27-28H,7-14H2,1H3.
What are the key properties of N-[1-[3-(5-fluoro-1H-indol-2-yl)phenyl]piperidin-4-yl]-1-methylpiperidin-4-amine?
N-[1-[3-(5-fluoro-1H-indol-2-yl)phenyl]piperidin-4-yl]-1-methylpiperidin-4-amine has a molecular weight of 406.55 g/mol, XLogP of 4.63, 4 rotatable bonds, 2 hydrogen bond donors, and 3 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]-1-methylpiperidin-4-amine is sourced from PubChem (CID 140939169), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).