1-[3-(1H-indol-2-yl)phenyl]-N-(pyridin-4-ylmethyl)piperidin-4-amine

C25H26N4 — CID 146536104

IUPAC1-[3-(1H-indol-2-yl)phenyl]-N-(pyridin-4-ylmethyl)piperidin-4-amine
SMILESc1cc(-c2cc3ccccc3[nH]2)cc(N2CCC(NCc3ccncc3)CC2)c1
InChIInChI=1S/C25H26N4/c1-2-7-24-21(4-1)17-25(28-24)20-5-3-6-23(16-20)29-14-10-22(11-15-29)27-18-19-8-12-26-13-9-19/h1-9,12-13,16-17,22,27-28H,10-11,14-15,18H2
InChIKeyHWFYSRHTZAHUSV-UHFFFAOYSA-N
MW382.51 g/mol
LogP4.99
Rot. Bonds5

About 1-[3-(1H-indol-2-yl)phenyl]-N-(pyridin-4-ylmethyl)piperidin-4-amine

1-[3-(1H-indol-2-yl)phenyl]-N-(pyridin-4-ylmethyl)piperidin-4-amine (PubChem CID 146536104) has the molecular formula C25H26N4 and a molecular weight of 382.51 g/mol. Its IUPAC name is 1-[3-(1H-indol-2-yl)phenyl]-N-(pyridin-4-ylmethyl)piperidin-4-amine.

Molecular Properties

Compound Name1-[3-(1H-indol-2-yl)phenyl]-N-(pyridin-4-ylmethyl)piperidin-4-amine
PubChem CID146536104
Molecular FormulaC25H26N4
Molecular Weight382.51 g/mol
Exact Mass382.22
IUPAC Name1-[3-(1H-indol-2-yl)phenyl]-N-(pyridin-4-ylmethyl)piperidin-4-amine
SMILESc1cc(-c2cc3ccccc3[nH]2)cc(N2CCC(NCc3ccncc3)CC2)c1
InChIInChI=1S/C25H26N4/c1-2-7-24-21(4-1)17-25(28-24)20-5-3-6-23(16-20)29-14-10-22(11-15-29)27-18-19-8-12-26-13-9-19/h1-9,12-13,16-17,22,27-28H,10-11,14-15,18H2
InChIKeyHWFYSRHTZAHUSV-UHFFFAOYSA-N
XLogP4.99
TPSA43.95 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500382.51
LogP ≤ 54.99
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

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-butan-2-ylpiperazin-1-yl)ethyl]-1-[3-(1H-indol-2-yl)phenyl]piperidin-4-amine
CID 140939133
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
N-(pyridin-4-ylmethyl)-1-pyrimidin-2-ylpiperidin-4-amine
CID 43675588
N-[1-[3-(5-fluoro-1H-indol-2-yl)phenyl]piperidin-4-yl]-1-methylpiperidin-4-amine
CID 140939169
2-[4-(4-phenylpiperazin-1-yl)phenyl]-1H-indole
CID 163366166
1-[3-(5,6-difluoro-1H-indol-2-yl)phenyl]-N-[2-(4-propan-2-ylpiperazin-1-yl)ethyl]piperidin-4-amine
CID 140939166
2-[3-[4-[2-(2-methyl-1,2,4-triazol-3-yl)ethylamino]piperidin-1-yl]phenyl]-1H-indole-5-carbonitrile
CID 140939080
N-[(1-methylimidazol-2-yl)methyl]-1-(3-phenylphenyl)piperidin-4-amine
CID 31134379
1-phenyl-N-[[3-(2H-tetrazol-5-yl)phenyl]methyl]piperidin-4-amine
CID 122571990

Frequently Asked Questions

What is the IUPAC name of 1-[3-(1H-indol-2-yl)phenyl]-N-(pyridin-4-ylmethyl)piperidin-4-amine?
The IUPAC name of 1-[3-(1H-indol-2-yl)phenyl]-N-(pyridin-4-ylmethyl)piperidin-4-amine (CID 146536104) is 1-[3-(1H-indol-2-yl)phenyl]-N-(pyridin-4-ylmethyl)piperidin-4-amine.
What is the SMILES notation for 1-[3-(1H-indol-2-yl)phenyl]-N-(pyridin-4-ylmethyl)piperidin-4-amine?
The canonical SMILES for 1-[3-(1H-indol-2-yl)phenyl]-N-(pyridin-4-ylmethyl)piperidin-4-amine is c1cc(-c2cc3ccccc3[nH]2)cc(N2CCC(NCc3ccncc3)CC2)c1.
What is the InChIKey of 1-[3-(1H-indol-2-yl)phenyl]-N-(pyridin-4-ylmethyl)piperidin-4-amine?
The InChIKey is HWFYSRHTZAHUSV-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H26N4/c1-2-7-24-21(4-1)17-25(28-24)20-5-3-6-23(16-20)29-14-10-22(11-15-29)27-18-19-8-12-26-13-9-19/h1-9,12-13,16-17,22,27-28H,10-11,14-15,18H2.
What are the key properties of 1-[3-(1H-indol-2-yl)phenyl]-N-(pyridin-4-ylmethyl)piperidin-4-amine?
1-[3-(1H-indol-2-yl)phenyl]-N-(pyridin-4-ylmethyl)piperidin-4-amine has a molecular weight of 382.51 g/mol, XLogP of 4.99, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-(1H-indol-2-yl)phenyl]-N-(pyridin-4-ylmethyl)piperidin-4-amine is sourced from PubChem (CID 146536104), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).