7-fluoro-1,3-dimethyl-5-(piperazin-1-ylmethyl)indole

C15H20FN3 — CID 117407896

IUPAC7-fluoro-1,3-dimethyl-5-(piperazin-1-ylmethyl)indole
SMILESCc1cn(C)c2c(F)cc(CN3CCNCC3)cc12
InChIInChI=1S/C15H20FN3/c1-11-9-18(2)15-13(11)7-12(8-14(15)16)10-19-5-3-17-4-6-19/h7-9,17H,3-6,10H2,1-2H3
InChIKeyHKGZUZLCUSICIK-UHFFFAOYSA-N
MW261.34 g/mol
LogP2.03
Rot. Bonds2

About 7-fluoro-1,3-dimethyl-5-(piperazin-1-ylmethyl)indole

7-fluoro-1,3-dimethyl-5-(piperazin-1-ylmethyl)indole (PubChem CID 117407896) has the molecular formula C15H20FN3 and a molecular weight of 261.34 g/mol. Its IUPAC name is 7-fluoro-1,3-dimethyl-5-(piperazin-1-ylmethyl)indole.

Molecular Properties

Compound Name7-fluoro-1,3-dimethyl-5-(piperazin-1-ylmethyl)indole
PubChem CID117407896
Molecular FormulaC15H20FN3
Molecular Weight261.34 g/mol
Exact Mass261.16
IUPAC Name7-fluoro-1,3-dimethyl-5-(piperazin-1-ylmethyl)indole
SMILESCc1cn(C)c2c(F)cc(CN3CCNCC3)cc12
InChIInChI=1S/C15H20FN3/c1-11-9-18(2)15-13(11)7-12(8-14(15)16)10-19-5-3-17-4-6-19/h7-9,17H,3-6,10H2,1-2H3
InChIKeyHKGZUZLCUSICIK-UHFFFAOYSA-N
XLogP2.03
TPSA20.20 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.34
LogP ≤ 52.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-fluoro-2-methyl-5-(piperazin-1-ylmethyl)aniline
CID 82509599
1-[(3-fluoro-5-methoxy-4-methylphenyl)methyl]piperazine
CID 83842778
3-fluoro-2-methoxy-5-(piperazin-1-ylmethyl)phenol
CID 117353440
1-[(4-ethyl-3-fluorophenyl)methyl]piperazine
CID 122519320
3-fluoro-2-methoxy-5-(piperazin-1-ylmethyl)benzoic acid
CID 117424318
1-[(4-methoxy-3-methyl-5-propan-2-ylphenyl)methyl]piperazine
CID 117411213
1-[(3-chloro-4-fluorophenyl)methyl]piperazine
CID 19618115
2,3-dimethyl-5-(piperazin-1-ylmethyl)aniline
CID 82509242
2-amino-3-(7-fluoro-1,3-dimethylindol-5-yl)propanoic acid
CID 115003704
7-fluoro-2,3-dimethyl-5-(2-piperazin-1-ylethyl)-1H-indole
CID 117440749
7-fluoro-1-methyl-3-(3-piperazin-1-ylpropyl)indole
CID 95432844
1-[(3-chloro-4-methylphenyl)methyl]piperazine
CID 63195406

Frequently Asked Questions

What is the IUPAC name of 7-fluoro-1,3-dimethyl-5-(piperazin-1-ylmethyl)indole?
The IUPAC name of 7-fluoro-1,3-dimethyl-5-(piperazin-1-ylmethyl)indole (CID 117407896) is 7-fluoro-1,3-dimethyl-5-(piperazin-1-ylmethyl)indole.
What is the SMILES notation for 7-fluoro-1,3-dimethyl-5-(piperazin-1-ylmethyl)indole?
The canonical SMILES for 7-fluoro-1,3-dimethyl-5-(piperazin-1-ylmethyl)indole is Cc1cn(C)c2c(F)cc(CN3CCNCC3)cc12.
What is the InChIKey of 7-fluoro-1,3-dimethyl-5-(piperazin-1-ylmethyl)indole?
The InChIKey is HKGZUZLCUSICIK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20FN3/c1-11-9-18(2)15-13(11)7-12(8-14(15)16)10-19-5-3-17-4-6-19/h7-9,17H,3-6,10H2,1-2H3.
What are the key properties of 7-fluoro-1,3-dimethyl-5-(piperazin-1-ylmethyl)indole?
7-fluoro-1,3-dimethyl-5-(piperazin-1-ylmethyl)indole has a molecular weight of 261.34 g/mol, XLogP of 2.03, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 7-fluoro-1,3-dimethyl-5-(piperazin-1-ylmethyl)indole is sourced from PubChem (CID 117407896), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).