LSCYLRMPGBYEDH-UHFFFAOYSA-N

Name: LSCYLRMPGBYEDH-UHFFFAOYSA-N — Molecular Data
Creator: MolForge
License: https://creativecommons.org/publicdomain/zero/1.0/

C₂₁H₂₄FN₃ — CID 14459742

Data last refreshed: 2026-04-15 (MolForge compound catalog, from PubChem)

IUPAC5-fluoro-9-(1-methylpiperidin-4-yl)-1,8-diazatetracyclo[8.6.1.02,7.014,17]heptadeca-2(7),3,5,10,12,14(17)-hexaene

SMILESCN1CCC(C2Nc3cc(F)ccc3N3CCc4cccc2c43)CC1

InChIInChI=1S/C21H24FN3/c1-24-10-7-14(8-11-24)20-17-4-2-3-15-9-12-25(21(15)17)19-6-5-16(22)13-18(19)23-20/h2-6,13-14,20,23H,7-12H2,1H3

InChIKeyLSCYLRMPGBYEDH-UHFFFAOYSA-N

MW337.44 g/mol

LogP4.33

Rot. Bonds1

About LSCYLRMPGBYEDH-UHFFFAOYSA-N

LSCYLRMPGBYEDH-UHFFFAOYSA-N (PubChem CID 14459742) has the molecular formula C₂₁H₂₄FN₃ and a molecular weight of 337.44 g/mol. Its IUPAC name is 5-fluoro-9-(1-methylpiperidin-4-yl)-1,8-diazatetracyclo[8.6.1.02,7.014,17]heptadeca-2(7),3,5,10,12,14(17)-hexaene.

Molecular Properties

Compound Name	LSCYLRMPGBYEDH-UHFFFAOYSA-N
PubChem CID	14459742
Molecular Formula	C₂₁H₂₄FN₃
Molecular Weight	337.44 g/mol
Exact Mass	337.20
IUPAC Name	5-fluoro-9-(1-methylpiperidin-4-yl)-1,8-diazatetracyclo[8.6.1.02,7.014,17]heptadeca-2(7),3,5,10,12,14(17)-hexaene
SMILES	CN1CCC(C2Nc3cc(F)ccc3N3CCc4cccc2c43)CC1
InChI	InChI=1S/C21H24FN3/c1-24-10-7-14(8-11-24)20-17-4-2-3-15-9-12-25(21(15)17)19-6-5-16(22)13-18(19)23-20/h2-6,13-14,20,23H,7-12H2,1H3
InChIKey	LSCYLRMPGBYEDH-UHFFFAOYSA-N
XLogP	4.33
TPSA	18.51 Å²
H-Bond Donors	1
H-Bond Acceptors	3
Rotatable Bonds	1
Heavy Atoms	25
Complexity	—

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	337.44
LogP ≤ 5	4.33
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	3

Frequently Asked Questions

What is the IUPAC name of LSCYLRMPGBYEDH-UHFFFAOYSA-N?

The IUPAC name of LSCYLRMPGBYEDH-UHFFFAOYSA-N (CID 14459742) is 5-fluoro-9-(1-methylpiperidin-4-yl)-1,8-diazatetracyclo[8.6.1.02,7.014,17]heptadeca-2(7),3,5,10,12,14(17)-hexaene.

What is the SMILES notation for LSCYLRMPGBYEDH-UHFFFAOYSA-N?

The canonical SMILES for LSCYLRMPGBYEDH-UHFFFAOYSA-N is CN1CCC(C2Nc3cc(F)ccc3N3CCc4cccc2c43)CC1.

What is the InChIKey of LSCYLRMPGBYEDH-UHFFFAOYSA-N?

The InChIKey is LSCYLRMPGBYEDH-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H24FN3/c1-24-10-7-14(8-11-24)20-17-4-2-3-15-9-12-25(21(15)17)19-6-5-16(22)13-18(19)23-20/h2-6,13-14,20,23H,7-12H2,1H3.

What are the key properties of LSCYLRMPGBYEDH-UHFFFAOYSA-N?

LSCYLRMPGBYEDH-UHFFFAOYSA-N has a molecular weight of 337.44 g/mol, XLogP of 4.33, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.

Where does this data come from?

All data for LSCYLRMPGBYEDH-UHFFFAOYSA-N is sourced from PubChem (CID 14459742), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

Browse: Molecules A–Z · all molecules A–Z · drugs A–Z · protein targets A–Z.

Sources

PubChem CID 14459742 — identifiers, structure, computed properties (public domain)

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