3-[4-[4-[4-(2-fluoroethoxy)phenyl]piperazin-1-yl]butyl]-1H-indole

C24H30FN3O — CID 86678034

IUPAC3-[4-[4-[4-(2-fluoroethoxy)phenyl]piperazin-1-yl]butyl]-1H-indole
SMILESFCCOc1ccc(N2CCN(CCCCc3c[nH]c4ccccc34)CC2)cc1
InChIInChI=1S/C24H30FN3O/c25-12-18-29-22-10-8-21(9-11-22)28-16-14-27(15-17-28)13-4-3-5-20-19-26-24-7-2-1-6-23(20)24/h1-2,6-11,19,26H,3-5,12-18H2
InChIKeyGWLBJIUIDLRTGN-UHFFFAOYSA-N
MW395.52 g/mol
LogP4.66
Rot. Bonds9

About 3-[4-[4-[4-(2-fluoroethoxy)phenyl]piperazin-1-yl]butyl]-1H-indole

3-[4-[4-[4-(2-fluoroethoxy)phenyl]piperazin-1-yl]butyl]-1H-indole (PubChem CID 86678034) has the molecular formula C24H30FN3O and a molecular weight of 395.52 g/mol. Its IUPAC name is 3-[4-[4-[4-(2-fluoroethoxy)phenyl]piperazin-1-yl]butyl]-1H-indole.

Molecular Properties

Compound Name3-[4-[4-[4-(2-fluoroethoxy)phenyl]piperazin-1-yl]butyl]-1H-indole
PubChem CID86678034
Molecular FormulaC24H30FN3O
Molecular Weight395.52 g/mol
Exact Mass395.24
IUPAC Name3-[4-[4-[4-(2-fluoroethoxy)phenyl]piperazin-1-yl]butyl]-1H-indole
SMILESFCCOc1ccc(N2CCN(CCCCc3c[nH]c4ccccc34)CC2)cc1
InChIInChI=1S/C24H30FN3O/c25-12-18-29-22-10-8-21(9-11-22)28-16-14-27(15-17-28)13-4-3-5-20-19-26-24-7-2-1-6-23(20)24/h1-2,6-11,19,26H,3-5,12-18H2
InChIKeyGWLBJIUIDLRTGN-UHFFFAOYSA-N
XLogP4.66
TPSA31.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500395.52
LogP ≤ 54.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_C(246)', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

3-[4-[4-(2-phenoxyphenyl)piperazin-1-yl]butyl]-1H-indole
CID 10113204
3-(4-piperazin-1-ylbutyl)-1H-indole
CID 95465204
3-[4-[4-(4-methoxyphenyl)piperazin-1-yl]butyl]-1H-indol-5-amine
CID 19936462
3-[4-[4-(5-phenyl-2-pyridinyl)piperazin-1-yl]butyl]-1H-indole
CID 135178455
3-[4-[4-(4-methoxyphenyl)piperazin-1-yl]butyl]-1H-indole-5-carboxylic acid
CID 19936429
1-[3-[4-[3-(1H-indol-3-yl)propylamino]sulfanylphenoxy]propyl]piperidin-4-ol
CID 166658549
3-[3-[4-(2-phenylethyl)piperazin-1-yl]propyl]-1H-indole
CID 19610450
3-[4-[4-[5-(2,4-difluorophenyl)pyrimidin-2-yl]piperazin-1-yl]butyl]-1H-indole
CID 141464768
3-[4-[4-[5-(2-methoxyphenyl)pyrimidin-2-yl]piperazin-1-yl]butyl]-1H-indole
CID 141464770
methyl 3-[4-(4-phenylpiperazin-1-yl)butyl]-1H-indole-5-carboxylate
CID 19936446
3-[4-[4-[4-[(3-chloro-2-pyridinyl)oxy]phenyl]piperazin-1-yl]butyl]-1H-indole-5-carbonitrile
CID 118499187
1-[4-[4-[3-(5-methoxy-1H-indol-3-yl)propyl]piperazin-1-yl]phenyl]pyridin-2-one
CID 118190841

Frequently Asked Questions

What is the IUPAC name of 3-[4-[4-[4-(2-fluoroethoxy)phenyl]piperazin-1-yl]butyl]-1H-indole?
The IUPAC name of 3-[4-[4-[4-(2-fluoroethoxy)phenyl]piperazin-1-yl]butyl]-1H-indole (CID 86678034) is 3-[4-[4-[4-(2-fluoroethoxy)phenyl]piperazin-1-yl]butyl]-1H-indole.
What is the SMILES notation for 3-[4-[4-[4-(2-fluoroethoxy)phenyl]piperazin-1-yl]butyl]-1H-indole?
The canonical SMILES for 3-[4-[4-[4-(2-fluoroethoxy)phenyl]piperazin-1-yl]butyl]-1H-indole is FCCOc1ccc(N2CCN(CCCCc3c[nH]c4ccccc34)CC2)cc1.
What is the InChIKey of 3-[4-[4-[4-(2-fluoroethoxy)phenyl]piperazin-1-yl]butyl]-1H-indole?
The InChIKey is GWLBJIUIDLRTGN-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H30FN3O/c25-12-18-29-22-10-8-21(9-11-22)28-16-14-27(15-17-28)13-4-3-5-20-19-26-24-7-2-1-6-23(20)24/h1-2,6-11,19,26H,3-5,12-18H2.
What are the key properties of 3-[4-[4-[4-(2-fluoroethoxy)phenyl]piperazin-1-yl]butyl]-1H-indole?
3-[4-[4-[4-(2-fluoroethoxy)phenyl]piperazin-1-yl]butyl]-1H-indole has a molecular weight of 395.52 g/mol, XLogP of 4.66, 9 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[4-[4-[4-(2-fluoroethoxy)phenyl]piperazin-1-yl]butyl]-1H-indole is sourced from PubChem (CID 86678034), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).