4-fluoro-2-[1-[2-(1H-indol-3-yl)ethyl]piperidin-4-yl]-1H-indole

C23H24FN3 — CID 22364686

IUPAC4-fluoro-2-[1-[2-(1H-indol-3-yl)ethyl]piperidin-4-yl]-1H-indole
SMILESFc1cccc2[nH]c(C3CCN(CCc4c[nH]c5ccccc45)CC3)cc12
InChIInChI=1S/C23H24FN3/c24-20-5-3-7-22-19(20)14-23(26-22)16-8-11-27(12-9-16)13-10-17-15-25-21-6-2-1-4-18(17)21/h1-7,14-16,25-26H,8-13H2
InChIKeyFUJZJWCNQHCYBK-UHFFFAOYSA-N
MW361.46 g/mol
LogP5.21
Rot. Bonds4

About 4-fluoro-2-[1-[2-(1H-indol-3-yl)ethyl]piperidin-4-yl]-1H-indole

4-fluoro-2-[1-[2-(1H-indol-3-yl)ethyl]piperidin-4-yl]-1H-indole (PubChem CID 22364686) has the molecular formula C23H24FN3 and a molecular weight of 361.46 g/mol. Its IUPAC name is 4-fluoro-2-[1-[2-(1H-indol-3-yl)ethyl]piperidin-4-yl]-1H-indole.

Molecular Properties

Compound Name4-fluoro-2-[1-[2-(1H-indol-3-yl)ethyl]piperidin-4-yl]-1H-indole
PubChem CID22364686
Molecular FormulaC23H24FN3
Molecular Weight361.46 g/mol
Exact Mass361.20
IUPAC Name4-fluoro-2-[1-[2-(1H-indol-3-yl)ethyl]piperidin-4-yl]-1H-indole
SMILESFc1cccc2[nH]c(C3CCN(CCc4c[nH]c5ccccc45)CC3)cc12
InChIInChI=1S/C23H24FN3/c24-20-5-3-7-22-19(20)14-23(26-22)16-8-11-27(12-9-16)13-10-17-15-25-21-6-2-1-4-18(17)21/h1-7,14-16,25-26H,8-13H2
InChIKeyFUJZJWCNQHCYBK-UHFFFAOYSA-N
XLogP5.21
TPSA34.82 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500361.46
LogP ≤ 55.21
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 101

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Related Compounds

3-(2-pyrrolidin-1-ylethyl)-1H-indole
CID 26393
3-[2-(4,4-difluoropiperidin-1-yl)ethyl]-1H-indole
CID 117007752
3-[2-[4-(3-chlorophenoxy)piperidin-1-yl]ethyl]-1H-indole
CID 21428727
(4-fluorophenyl)-[1-[2-(1H-indol-3-yl)ethyl]piperidin-4-yl]methanone;hydrochloride
CID 13180278
N-[1-[2-(1H-indol-3-yl)ethyl]piperidin-4-yl]bicyclo[1.1.1]pentane-1-carboxamide
CID 165485504
1-[1-[2-(1H-indol-3-yl)ethyl]piperidin-4-yl]pyrrolidin-2-one
CID 56872329
4-[2-(1H-indol-3-yl)ethyl]piperazine-1-carbaldehyde
CID 91084591
4-[2-(1H-indol-3-yl)ethyl]-1,4-thiazinane 1,1-dioxide
CID 2767993
cyclopropyl-[4-[2-(1H-indol-3-yl)ethyl]piperazin-1-yl]methanone
CID 110602085
5-bromo-3-[1-(2-naphthalen-1-ylethyl)piperidin-4-yl]-1H-indole
CID 67753647
3-[4-[3-(2-fluorophenyl)piperidin-1-yl]butyl]-1H-indole
CID 70044838
3-[2-[4-[3-(3,4-dihydro-1,2-benzodioxin-6-yl)-1H-pyrazol-5-yl]piperidin-1-yl]ethyl]-1H-indole
CID 22911485

Frequently Asked Questions

What is the IUPAC name of 4-fluoro-2-[1-[2-(1H-indol-3-yl)ethyl]piperidin-4-yl]-1H-indole?
The IUPAC name of 4-fluoro-2-[1-[2-(1H-indol-3-yl)ethyl]piperidin-4-yl]-1H-indole (CID 22364686) is 4-fluoro-2-[1-[2-(1H-indol-3-yl)ethyl]piperidin-4-yl]-1H-indole.
What is the SMILES notation for 4-fluoro-2-[1-[2-(1H-indol-3-yl)ethyl]piperidin-4-yl]-1H-indole?
The canonical SMILES for 4-fluoro-2-[1-[2-(1H-indol-3-yl)ethyl]piperidin-4-yl]-1H-indole is Fc1cccc2[nH]c(C3CCN(CCc4c[nH]c5ccccc45)CC3)cc12.
What is the InChIKey of 4-fluoro-2-[1-[2-(1H-indol-3-yl)ethyl]piperidin-4-yl]-1H-indole?
The InChIKey is FUJZJWCNQHCYBK-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H24FN3/c24-20-5-3-7-22-19(20)14-23(26-22)16-8-11-27(12-9-16)13-10-17-15-25-21-6-2-1-4-18(17)21/h1-7,14-16,25-26H,8-13H2.
What are the key properties of 4-fluoro-2-[1-[2-(1H-indol-3-yl)ethyl]piperidin-4-yl]-1H-indole?
4-fluoro-2-[1-[2-(1H-indol-3-yl)ethyl]piperidin-4-yl]-1H-indole has a molecular weight of 361.46 g/mol, XLogP of 5.21, 4 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-fluoro-2-[1-[2-(1H-indol-3-yl)ethyl]piperidin-4-yl]-1H-indole is sourced from PubChem (CID 22364686), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).