1-[3-(5,6-difluoro-1H-indol-2-yl)phenyl]-N-[2-(4-propan-2-ylpiperazin-1-yl)ethyl]piperidin-4-amine

C28H37F2N5 — CID 140939166

IUPAC1-[3-(5,6-difluoro-1H-indol-2-yl)phenyl]-N-[2-(4-propan-2-ylpiperazin-1-yl)ethyl]piperidin-4-amine
SMILESCC(C)N1CCN(CCNC2CCN(c3cccc(-c4cc5cc(F)c(F)cc5[nH]4)c3)CC2)CC1
InChIInChI=1S/C28H37F2N5/c1-20(2)34-14-12-33(13-15-34)11-8-31-23-6-9-35(10-7-23)24-5-3-4-21(16-24)27-18-22-17-25(29)26(30)19-28(22)32-27/h3-5,16-20,23,31-32H,6-15H2,1-2H3
InChIKeyRSUINCNQKYONAZ-UHFFFAOYSA-N
MW481.64 g/mol
LogP4.70
Rot. Bonds7

About 1-[3-(5,6-difluoro-1H-indol-2-yl)phenyl]-N-[2-(4-propan-2-ylpiperazin-1-yl)ethyl]piperidin-4-amine

1-[3-(5,6-difluoro-1H-indol-2-yl)phenyl]-N-[2-(4-propan-2-ylpiperazin-1-yl)ethyl]piperidin-4-amine (PubChem CID 140939166) has the molecular formula C28H37F2N5 and a molecular weight of 481.64 g/mol. Its IUPAC name is 1-[3-(5,6-difluoro-1H-indol-2-yl)phenyl]-N-[2-(4-propan-2-ylpiperazin-1-yl)ethyl]piperidin-4-amine.

Molecular Properties

Compound Name1-[3-(5,6-difluoro-1H-indol-2-yl)phenyl]-N-[2-(4-propan-2-ylpiperazin-1-yl)ethyl]piperidin-4-amine
PubChem CID140939166
Molecular FormulaC28H37F2N5
Molecular Weight481.64 g/mol
Exact Mass481.30
IUPAC Name1-[3-(5,6-difluoro-1H-indol-2-yl)phenyl]-N-[2-(4-propan-2-ylpiperazin-1-yl)ethyl]piperidin-4-amine
SMILESCC(C)N1CCN(CCNC2CCN(c3cccc(-c4cc5cc(F)c(F)cc5[nH]4)c3)CC2)CC1
InChIInChI=1S/C28H37F2N5/c1-20(2)34-14-12-33(13-15-34)11-8-31-23-6-9-35(10-7-23)24-5-3-4-21(16-24)27-18-22-17-25(29)26(30)19-28(22)32-27/h3-5,16-20,23,31-32H,6-15H2,1-2H3
InChIKeyRSUINCNQKYONAZ-UHFFFAOYSA-N
XLogP4.70
TPSA37.54 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500481.64
LogP ≤ 54.70
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[2-(4-butan-2-ylpiperazin-1-yl)ethyl]-1-[3-(1H-indol-2-yl)phenyl]piperidin-4-amine
CID 140939133
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-[2-(4-benzylpiperazin-1-yl)ethyl]-1-[3-(1H-indol-2-yl)phenyl]piperidin-4-amine
CID 140939089
1-[3-(1H-indol-2-yl)phenyl]-N-[3-(4-methylpiperazin-1-yl)propyl]piperidin-4-amine
CID 140939060
N-[2-(4-propan-2-ylpiperazin-1-yl)ethyl]-1-[3-(2,3,4,5-tetrahydro-1H-cyclopenta[c]pyridin-6-yl)phenyl]piperidin-4-amine
CID 158521775
1-[3-[5-(pentafluoro-λ6-sulfanyl)-1H-inden-2-yl]phenyl]-N-[2-(4-propan-2-ylpiperazin-1-yl)ethyl]piperidin-4-amine
CID 157093060
N-[1-[3-(5-fluoro-1H-indol-2-yl)phenyl]piperidin-4-yl]-1-methylpiperidin-4-amine
CID 140939169
methyl 2-[3-[4-[(1-propan-2-ylpiperidin-4-yl)amino]piperidin-1-yl]phenyl]-1H-indole-5-carboxylate
CID 140939053
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
2-[3-[4-[2-(4-propan-2-ylpiperazin-1-yl)ethylidene]piperidin-1-yl]phenyl]-1H-indole
CID 140939103
tert-butyl N-[1-[3-(5-methoxy-1H-indol-2-yl)phenyl]piperidin-4-yl]-N-[2-(4-propan-2-ylpiperazin-1-yl)ethyl]carbamate
CID 140939033

Frequently Asked Questions

What is the IUPAC name of 1-[3-(5,6-difluoro-1H-indol-2-yl)phenyl]-N-[2-(4-propan-2-ylpiperazin-1-yl)ethyl]piperidin-4-amine?
The IUPAC name of 1-[3-(5,6-difluoro-1H-indol-2-yl)phenyl]-N-[2-(4-propan-2-ylpiperazin-1-yl)ethyl]piperidin-4-amine (CID 140939166) is 1-[3-(5,6-difluoro-1H-indol-2-yl)phenyl]-N-[2-(4-propan-2-ylpiperazin-1-yl)ethyl]piperidin-4-amine.
What is the SMILES notation for 1-[3-(5,6-difluoro-1H-indol-2-yl)phenyl]-N-[2-(4-propan-2-ylpiperazin-1-yl)ethyl]piperidin-4-amine?
The canonical SMILES for 1-[3-(5,6-difluoro-1H-indol-2-yl)phenyl]-N-[2-(4-propan-2-ylpiperazin-1-yl)ethyl]piperidin-4-amine is CC(C)N1CCN(CCNC2CCN(c3cccc(-c4cc5cc(F)c(F)cc5[nH]4)c3)CC2)CC1.
What is the InChIKey of 1-[3-(5,6-difluoro-1H-indol-2-yl)phenyl]-N-[2-(4-propan-2-ylpiperazin-1-yl)ethyl]piperidin-4-amine?
The InChIKey is RSUINCNQKYONAZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H37F2N5/c1-20(2)34-14-12-33(13-15-34)11-8-31-23-6-9-35(10-7-23)24-5-3-4-21(16-24)27-18-22-17-25(29)26(30)19-28(22)32-27/h3-5,16-20,23,31-32H,6-15H2,1-2H3.
What are the key properties of 1-[3-(5,6-difluoro-1H-indol-2-yl)phenyl]-N-[2-(4-propan-2-ylpiperazin-1-yl)ethyl]piperidin-4-amine?
1-[3-(5,6-difluoro-1H-indol-2-yl)phenyl]-N-[2-(4-propan-2-ylpiperazin-1-yl)ethyl]piperidin-4-amine has a molecular weight of 481.64 g/mol, XLogP of 4.70, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-(5,6-difluoro-1H-indol-2-yl)phenyl]-N-[2-(4-propan-2-ylpiperazin-1-yl)ethyl]piperidin-4-amine is sourced from PubChem (CID 140939166), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).