3-[1-[3-(4-fluoro-7-methylindol-1-yl)phenyl]piperidin-4-yl]propan-1-amine

C23H28FN3 — CID 170159411

IUPAC3-[1-[3-(4-fluoro-7-methylindol-1-yl)phenyl]piperidin-4-yl]propan-1-amine
SMILESCc1ccc(F)c2ccn(-c3cccc(N4CCC(CCCN)CC4)c3)c12
InChIInChI=1S/C23H28FN3/c1-17-7-8-22(24)21-11-15-27(23(17)21)20-6-2-5-19(16-20)26-13-9-18(10-14-26)4-3-12-25/h2,5-8,11,15-16,18H,3-4,9-10,12-14,25H2,1H3
InChIKeySZNFGRLNZNUDAW-UHFFFAOYSA-N
MW365.50 g/mol
LogP5.03
Rot. Bonds5

About 3-[1-[3-(4-fluoro-7-methylindol-1-yl)phenyl]piperidin-4-yl]propan-1-amine

3-[1-[3-(4-fluoro-7-methylindol-1-yl)phenyl]piperidin-4-yl]propan-1-amine (PubChem CID 170159411) has the molecular formula C23H28FN3 and a molecular weight of 365.50 g/mol. Its IUPAC name is 3-[1-[3-(4-fluoro-7-methylindol-1-yl)phenyl]piperidin-4-yl]propan-1-amine.

Molecular Properties

Compound Name3-[1-[3-(4-fluoro-7-methylindol-1-yl)phenyl]piperidin-4-yl]propan-1-amine
PubChem CID170159411
Molecular FormulaC23H28FN3
Molecular Weight365.50 g/mol
Exact Mass365.23
IUPAC Name3-[1-[3-(4-fluoro-7-methylindol-1-yl)phenyl]piperidin-4-yl]propan-1-amine
SMILESCc1ccc(F)c2ccn(-c3cccc(N4CCC(CCCN)CC4)c3)c12
InChIInChI=1S/C23H28FN3/c1-17-7-8-22(24)21-11-15-27(23(17)21)20-6-2-5-19(16-20)26-13-9-18(10-14-26)4-3-12-25/h2,5-8,11,15-16,18H,3-4,9-10,12-14,25H2,1H3
InChIKeySZNFGRLNZNUDAW-UHFFFAOYSA-N
XLogP5.03
TPSA34.19 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500365.50
LogP ≤ 55.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-[1-[3-(4-fluoro-7-methylindol-1-yl)phenyl]piperidin-4-yl]propan-1-amine?
The IUPAC name of 3-[1-[3-(4-fluoro-7-methylindol-1-yl)phenyl]piperidin-4-yl]propan-1-amine (CID 170159411) is 3-[1-[3-(4-fluoro-7-methylindol-1-yl)phenyl]piperidin-4-yl]propan-1-amine.
What is the SMILES notation for 3-[1-[3-(4-fluoro-7-methylindol-1-yl)phenyl]piperidin-4-yl]propan-1-amine?
The canonical SMILES for 3-[1-[3-(4-fluoro-7-methylindol-1-yl)phenyl]piperidin-4-yl]propan-1-amine is Cc1ccc(F)c2ccn(-c3cccc(N4CCC(CCCN)CC4)c3)c12.
What is the InChIKey of 3-[1-[3-(4-fluoro-7-methylindol-1-yl)phenyl]piperidin-4-yl]propan-1-amine?
The InChIKey is SZNFGRLNZNUDAW-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H28FN3/c1-17-7-8-22(24)21-11-15-27(23(17)21)20-6-2-5-19(16-20)26-13-9-18(10-14-26)4-3-12-25/h2,5-8,11,15-16,18H,3-4,9-10,12-14,25H2,1H3.
What are the key properties of 3-[1-[3-(4-fluoro-7-methylindol-1-yl)phenyl]piperidin-4-yl]propan-1-amine?
3-[1-[3-(4-fluoro-7-methylindol-1-yl)phenyl]piperidin-4-yl]propan-1-amine has a molecular weight of 365.50 g/mol, XLogP of 5.03, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[1-[3-(4-fluoro-7-methylindol-1-yl)phenyl]piperidin-4-yl]propan-1-amine is sourced from PubChem (CID 170159411), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).