N-[[2-fluoro-5-(1H-indol-5-yl)phenyl]methyl]-1-methylpiperidin-4-amine

C21H24FN3 — CID 68749600

IUPACN-[[2-fluoro-5-(1H-indol-5-yl)phenyl]methyl]-1-methylpiperidin-4-amine
SMILESCN1CCC(NCc2cc(-c3ccc4[nH]ccc4c3)ccc2F)CC1
InChIInChI=1S/C21H24FN3/c1-25-10-7-19(8-11-25)24-14-18-13-15(2-4-20(18)22)16-3-5-21-17(12-16)6-9-23-21/h2-6,9,12-13,19,23-24H,7-8,10-11,14H2,1H3
InChIKeyKTNIQNANOUEQKT-UHFFFAOYSA-N
MW337.44 g/mol
LogP4.16
Rot. Bonds4

About N-[[2-fluoro-5-(1H-indol-5-yl)phenyl]methyl]-1-methylpiperidin-4-amine

N-[[2-fluoro-5-(1H-indol-5-yl)phenyl]methyl]-1-methylpiperidin-4-amine (PubChem CID 68749600) has the molecular formula C21H24FN3 and a molecular weight of 337.44 g/mol. Its IUPAC name is N-[[2-fluoro-5-(1H-indol-5-yl)phenyl]methyl]-1-methylpiperidin-4-amine.

Molecular Properties

Compound NameN-[[2-fluoro-5-(1H-indol-5-yl)phenyl]methyl]-1-methylpiperidin-4-amine
PubChem CID68749600
Molecular FormulaC21H24FN3
Molecular Weight337.44 g/mol
Exact Mass337.20
IUPAC NameN-[[2-fluoro-5-(1H-indol-5-yl)phenyl]methyl]-1-methylpiperidin-4-amine
SMILESCN1CCC(NCc2cc(-c3ccc4[nH]ccc4c3)ccc2F)CC1
InChIInChI=1S/C21H24FN3/c1-25-10-7-19(8-11-25)24-14-18-13-15(2-4-20(18)22)16-3-5-21-17(12-16)6-9-23-21/h2-6,9,12-13,19,23-24H,7-8,10-11,14H2,1H3
InChIKeyKTNIQNANOUEQKT-UHFFFAOYSA-N
XLogP4.16
TPSA31.06 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.44
LogP ≤ 54.16
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-[[2-fluoro-5-(1H-indol-5-yl)phenyl]methyl]-1-methylpiperidin-4-amine?
The IUPAC name of N-[[2-fluoro-5-(1H-indol-5-yl)phenyl]methyl]-1-methylpiperidin-4-amine (CID 68749600) is N-[[2-fluoro-5-(1H-indol-5-yl)phenyl]methyl]-1-methylpiperidin-4-amine.
What is the SMILES notation for N-[[2-fluoro-5-(1H-indol-5-yl)phenyl]methyl]-1-methylpiperidin-4-amine?
The canonical SMILES for N-[[2-fluoro-5-(1H-indol-5-yl)phenyl]methyl]-1-methylpiperidin-4-amine is CN1CCC(NCc2cc(-c3ccc4[nH]ccc4c3)ccc2F)CC1.
What is the InChIKey of N-[[2-fluoro-5-(1H-indol-5-yl)phenyl]methyl]-1-methylpiperidin-4-amine?
The InChIKey is KTNIQNANOUEQKT-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H24FN3/c1-25-10-7-19(8-11-25)24-14-18-13-15(2-4-20(18)22)16-3-5-21-17(12-16)6-9-23-21/h2-6,9,12-13,19,23-24H,7-8,10-11,14H2,1H3.
What are the key properties of N-[[2-fluoro-5-(1H-indol-5-yl)phenyl]methyl]-1-methylpiperidin-4-amine?
N-[[2-fluoro-5-(1H-indol-5-yl)phenyl]methyl]-1-methylpiperidin-4-amine has a molecular weight of 337.44 g/mol, XLogP of 4.16, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[2-fluoro-5-(1H-indol-5-yl)phenyl]methyl]-1-methylpiperidin-4-amine is sourced from PubChem (CID 68749600), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).