6-chloro-1-[1-[2-(4-fluorophenyl)ethyl]piperidin-4-yl]-2,3-dihydroindole

C21H24ClFN2 — CID 22038129

IUPAC6-chloro-1-[1-[2-(4-fluorophenyl)ethyl]piperidin-4-yl]-2,3-dihydroindole
SMILESFc1ccc(CCN2CCC(N3CCc4ccc(Cl)cc43)CC2)cc1
InChIInChI=1S/C21H24ClFN2/c22-18-4-3-17-8-14-25(21(17)15-18)20-9-12-24(13-10-20)11-7-16-1-5-19(23)6-2-16/h1-6,15,20H,7-14H2
InChIKeySBALULPMDGIQRU-UHFFFAOYSA-N
MW358.89 g/mol
LogP4.55
Rot. Bonds4

About 6-chloro-1-[1-[2-(4-fluorophenyl)ethyl]piperidin-4-yl]-2,3-dihydroindole

6-chloro-1-[1-[2-(4-fluorophenyl)ethyl]piperidin-4-yl]-2,3-dihydroindole (PubChem CID 22038129) has the molecular formula C21H24ClFN2 and a molecular weight of 358.89 g/mol. Its IUPAC name is 6-chloro-1-[1-[2-(4-fluorophenyl)ethyl]piperidin-4-yl]-2,3-dihydroindole.

Molecular Properties

Compound Name6-chloro-1-[1-[2-(4-fluorophenyl)ethyl]piperidin-4-yl]-2,3-dihydroindole
PubChem CID22038129
Molecular FormulaC21H24ClFN2
Molecular Weight358.89 g/mol
Exact Mass358.16
IUPAC Name6-chloro-1-[1-[2-(4-fluorophenyl)ethyl]piperidin-4-yl]-2,3-dihydroindole
SMILESFc1ccc(CCN2CCC(N3CCc4ccc(Cl)cc43)CC2)cc1
InChIInChI=1S/C21H24ClFN2/c22-18-4-3-17-8-14-25(21(17)15-18)20-9-12-24(13-10-20)11-7-16-1-5-19(23)6-2-16/h1-6,15,20H,7-14H2
InChIKeySBALULPMDGIQRU-UHFFFAOYSA-N
XLogP4.55
TPSA6.48 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.89
LogP ≤ 54.55
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

1-Benzyl-4-(3-chlorophenyl)piperazine
CID 413525
1-(3-Chlorophenyl)-4-(2-phenylethyl)piperazine
CID 2845469
N-(3-chlorophenyl)-1-(2-phenylethyl)-4-piperidinamine
CID 52934004
1-(3-Chlorophenyl)-4-(3-phenylpropyl)piperazine
CID 4992580
7-Chloro-1,2,3,4,10,10a-hexahydro-pyrazino[1,2-a]indole
CID 9859144
2-[4-(4-Chloro-benzyl)-piperazin-1-yl]-1-((S)-2-vinyl-2,3-dihydro-indol-1-yl)-ethanone
CID 9865490
2-[4-(4-Chloro-benzyl)-piperazin-1-yl]-1-(6-chloro-2,3-dihydro-indol-1-yl)-ethanone
CID 9865920
2-[4-(4-Chloro-benzyl)-piperazin-1-yl]-1-((S)-2-fluoromethyl-2,3-dihydro-indol-1-yl)-ethanone
CID 9930934
2-[4-(4-Chloro-benzyl)-piperazin-1-yl]-1-(4-fluoro-2,3-dihydro-indol-1-yl)-ethanone
CID 9952218
(S)-2-(6-Chloro-5-fluoro-2,3-dihydro-indol-1-yl)-1-methyl-ethylamine
CID 44316017
1-(4-Chlorophenyl)-4-[4-(4-fluorophenyl)butyl]piperazine
CID 57401819
3-[4-(4-Chloro-benzyl)-piperazin-1-yl]-1-(2,3-dihydro-indol-1-yl)-propan-1-one
CID 30743524

Frequently Asked Questions

What is the IUPAC name of 6-chloro-1-[1-[2-(4-fluorophenyl)ethyl]piperidin-4-yl]-2,3-dihydroindole?
The IUPAC name of 6-chloro-1-[1-[2-(4-fluorophenyl)ethyl]piperidin-4-yl]-2,3-dihydroindole (CID 22038129) is 6-chloro-1-[1-[2-(4-fluorophenyl)ethyl]piperidin-4-yl]-2,3-dihydroindole.
What is the SMILES notation for 6-chloro-1-[1-[2-(4-fluorophenyl)ethyl]piperidin-4-yl]-2,3-dihydroindole?
The canonical SMILES for 6-chloro-1-[1-[2-(4-fluorophenyl)ethyl]piperidin-4-yl]-2,3-dihydroindole is Fc1ccc(CCN2CCC(N3CCc4ccc(Cl)cc43)CC2)cc1.
What is the InChIKey of 6-chloro-1-[1-[2-(4-fluorophenyl)ethyl]piperidin-4-yl]-2,3-dihydroindole?
The InChIKey is SBALULPMDGIQRU-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H24ClFN2/c22-18-4-3-17-8-14-25(21(17)15-18)20-9-12-24(13-10-20)11-7-16-1-5-19(23)6-2-16/h1-6,15,20H,7-14H2.
What are the key properties of 6-chloro-1-[1-[2-(4-fluorophenyl)ethyl]piperidin-4-yl]-2,3-dihydroindole?
6-chloro-1-[1-[2-(4-fluorophenyl)ethyl]piperidin-4-yl]-2,3-dihydroindole has a molecular weight of 358.89 g/mol, XLogP of 4.55, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-1-[1-[2-(4-fluorophenyl)ethyl]piperidin-4-yl]-2,3-dihydroindole is sourced from PubChem (CID 22038129), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).