4-[[4-(3-fluoropropyl)piperazin-1-yl]methyl]-5-methoxy-7-methyl-1H-indole

C18H26FN3O — CID 166460896

IUPAC4-[[4-(3-fluoropropyl)piperazin-1-yl]methyl]-5-methoxy-7-methyl-1H-indole
SMILESCOc1cc(C)c2[nH]ccc2c1CN1CCN(CCCF)CC1
InChIInChI=1S/C18H26FN3O/c1-14-12-17(23-2)16(15-4-6-20-18(14)15)13-22-10-8-21(9-11-22)7-3-5-19/h4,6,12,20H,3,5,7-11,13H2,1-2H3
InChIKeySPQAXEMGQCLVAT-UHFFFAOYSA-N
MW319.42 g/mol
LogP2.96
Rot. Bonds6

About 4-[[4-(3-fluoropropyl)piperazin-1-yl]methyl]-5-methoxy-7-methyl-1H-indole

4-[[4-(3-fluoropropyl)piperazin-1-yl]methyl]-5-methoxy-7-methyl-1H-indole (PubChem CID 166460896) has the molecular formula C18H26FN3O and a molecular weight of 319.42 g/mol. Its IUPAC name is 4-[[4-(3-fluoropropyl)piperazin-1-yl]methyl]-5-methoxy-7-methyl-1H-indole.

Molecular Properties

Compound Name4-[[4-(3-fluoropropyl)piperazin-1-yl]methyl]-5-methoxy-7-methyl-1H-indole
PubChem CID166460896
Molecular FormulaC18H26FN3O
Molecular Weight319.42 g/mol
Exact Mass319.21
IUPAC Name4-[[4-(3-fluoropropyl)piperazin-1-yl]methyl]-5-methoxy-7-methyl-1H-indole
SMILESCOc1cc(C)c2[nH]ccc2c1CN1CCN(CCCF)CC1
InChIInChI=1S/C18H26FN3O/c1-14-12-17(23-2)16(15-4-6-20-18(14)15)13-22-10-8-21(9-11-22)7-3-5-19/h4,6,12,20H,3,5,7-11,13H2,1-2H3
InChIKeySPQAXEMGQCLVAT-UHFFFAOYSA-N
XLogP2.96
TPSA31.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.42
LogP ≤ 52.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-[(4-cyclopropyl-4-methylpiperidin-1-yl)methyl]-5-methoxy-7-methyl-1H-indole
CID 174347955
5-methoxy-7-methyl-4-[[4-(2-methylcyclopropyl)piperidin-1-yl]methyl]-1H-indole
CID 174348038
2-[(5-methoxy-7-methyl-1H-indol-4-yl)methyl]-6-methyl-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazine
CID 171840786
3-[1-[(5-methoxy-7-methyl-1H-indol-4-yl)methyl]piperidin-4-yl]propanenitrile
CID 170975574
benzoic acid;4-[[4-(1,1-difluoropropan-2-yl)piperazin-1-yl]methyl]-5-methoxy-7-methyl-1H-indole
CID 166461004
8-[(5-methoxy-7-methyl-1H-indol-4-yl)methyl]-2-methyl-1-oxa-8-azaspiro[4.5]decane
CID 174346769
4-[[4-(2,2-difluoroethyl)piperazin-1-yl]methyl]-5-methoxy-7-methyl-1H-indole;methyl benzoate
CID 166460944
benzoic acid;4-[(4-cyclopropylpiperidin-1-yl)methyl]-5-methoxy-7-methyl-1H-indole
CID 166158520
5-methoxy-7-methyl-4-(piperazin-1-ylmethyl)-1H-indole;methyl benzoate
CID 166460978
2-aminobenzoic acid;4-[[4-(2,2-difluoroethyl)piperazin-1-yl]methyl]-5-methoxy-7-methyl-1H-indole;ethane
CID 171840343
4-(azetidin-1-ylmethyl)-5,7-dimethyl-1H-indole
CID 134382573
ethane;5-methoxy-7-methyl-4-[(4-pyridazin-3-ylpiperazin-1-yl)methyl]-1H-indole;methyl benzoate
CID 166461011

Frequently Asked Questions

What is the IUPAC name of 4-[[4-(3-fluoropropyl)piperazin-1-yl]methyl]-5-methoxy-7-methyl-1H-indole?
The IUPAC name of 4-[[4-(3-fluoropropyl)piperazin-1-yl]methyl]-5-methoxy-7-methyl-1H-indole (CID 166460896) is 4-[[4-(3-fluoropropyl)piperazin-1-yl]methyl]-5-methoxy-7-methyl-1H-indole.
What is the SMILES notation for 4-[[4-(3-fluoropropyl)piperazin-1-yl]methyl]-5-methoxy-7-methyl-1H-indole?
The canonical SMILES for 4-[[4-(3-fluoropropyl)piperazin-1-yl]methyl]-5-methoxy-7-methyl-1H-indole is COc1cc(C)c2[nH]ccc2c1CN1CCN(CCCF)CC1.
What is the InChIKey of 4-[[4-(3-fluoropropyl)piperazin-1-yl]methyl]-5-methoxy-7-methyl-1H-indole?
The InChIKey is SPQAXEMGQCLVAT-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H26FN3O/c1-14-12-17(23-2)16(15-4-6-20-18(14)15)13-22-10-8-21(9-11-22)7-3-5-19/h4,6,12,20H,3,5,7-11,13H2,1-2H3.
What are the key properties of 4-[[4-(3-fluoropropyl)piperazin-1-yl]methyl]-5-methoxy-7-methyl-1H-indole?
4-[[4-(3-fluoropropyl)piperazin-1-yl]methyl]-5-methoxy-7-methyl-1H-indole has a molecular weight of 319.42 g/mol, XLogP of 2.96, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[4-(3-fluoropropyl)piperazin-1-yl]methyl]-5-methoxy-7-methyl-1H-indole is sourced from PubChem (CID 166460896), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).