2-(4-cyclopropylpiperazin-1-yl)-4-(4-fluorophenyl)-5,6,7,8,9,10-hexahydrocycloocta[b]pyridine

C24H30FN3 — CID 15020817

IUPAC2-(4-cyclopropylpiperazin-1-yl)-4-(4-fluorophenyl)-5,6,7,8,9,10-hexahydrocycloocta[b]pyridine
SMILESFc1ccc(-c2cc(N3CCN(C4CC4)CC3)nc3c2CCCCCC3)cc1
InChIInChI=1S/C24H30FN3/c25-19-9-7-18(8-10-19)22-17-24(26-23-6-4-2-1-3-5-21(22)23)28-15-13-27(14-16-28)20-11-12-20/h7-10,17,20H,1-6,11-16H2
InChIKeyVPXRTCJIFXSVGS-UHFFFAOYSA-N
MW379.52 g/mol
LogP4.83
Rot. Bonds3

About 2-(4-cyclopropylpiperazin-1-yl)-4-(4-fluorophenyl)-5,6,7,8,9,10-hexahydrocycloocta[b]pyridine

2-(4-cyclopropylpiperazin-1-yl)-4-(4-fluorophenyl)-5,6,7,8,9,10-hexahydrocycloocta[b]pyridine (PubChem CID 15020817) has the molecular formula C24H30FN3 and a molecular weight of 379.52 g/mol. Its IUPAC name is 2-(4-cyclopropylpiperazin-1-yl)-4-(4-fluorophenyl)-5,6,7,8,9,10-hexahydrocycloocta[b]pyridine.

Molecular Properties

Compound Name2-(4-cyclopropylpiperazin-1-yl)-4-(4-fluorophenyl)-5,6,7,8,9,10-hexahydrocycloocta[b]pyridine
PubChem CID15020817
Molecular FormulaC24H30FN3
Molecular Weight379.52 g/mol
Exact Mass379.24
IUPAC Name2-(4-cyclopropylpiperazin-1-yl)-4-(4-fluorophenyl)-5,6,7,8,9,10-hexahydrocycloocta[b]pyridine
SMILESFc1ccc(-c2cc(N3CCN(C4CC4)CC3)nc3c2CCCCCC3)cc1
InChIInChI=1S/C24H30FN3/c25-19-9-7-18(8-10-19)22-17-24(26-23-6-4-2-1-3-5-21(22)23)28-15-13-27(14-16-28)20-11-12-20/h7-10,17,20H,1-6,11-16H2
InChIKeyVPXRTCJIFXSVGS-UHFFFAOYSA-N
XLogP4.83
TPSA19.37 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500379.52
LogP ≤ 54.83
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 2-(4-cyclopropylpiperazin-1-yl)-4-(4-fluorophenyl)-5,6,7,8,9,10-hexahydrocycloocta[b]pyridine with MolForge

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Related Compounds

CID 125564
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CID 11324846
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CID 11337173
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CID 11393294
CID 11393294
CID 91808025
CID 91808025
CID 91808028
CID 91808028
CID 130449158
CID 130449158
CID 137530115
CID 137530115
CID 947920
CID 947920
CID 15079635
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CID 44304233
CID 44304233

Frequently Asked Questions

What is the IUPAC name of 2-(4-cyclopropylpiperazin-1-yl)-4-(4-fluorophenyl)-5,6,7,8,9,10-hexahydrocycloocta[b]pyridine?
The IUPAC name of 2-(4-cyclopropylpiperazin-1-yl)-4-(4-fluorophenyl)-5,6,7,8,9,10-hexahydrocycloocta[b]pyridine (CID 15020817) is 2-(4-cyclopropylpiperazin-1-yl)-4-(4-fluorophenyl)-5,6,7,8,9,10-hexahydrocycloocta[b]pyridine.
What is the SMILES notation for 2-(4-cyclopropylpiperazin-1-yl)-4-(4-fluorophenyl)-5,6,7,8,9,10-hexahydrocycloocta[b]pyridine?
The canonical SMILES for 2-(4-cyclopropylpiperazin-1-yl)-4-(4-fluorophenyl)-5,6,7,8,9,10-hexahydrocycloocta[b]pyridine is Fc1ccc(-c2cc(N3CCN(C4CC4)CC3)nc3c2CCCCCC3)cc1.
What is the InChIKey of 2-(4-cyclopropylpiperazin-1-yl)-4-(4-fluorophenyl)-5,6,7,8,9,10-hexahydrocycloocta[b]pyridine?
The InChIKey is VPXRTCJIFXSVGS-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H30FN3/c25-19-9-7-18(8-10-19)22-17-24(26-23-6-4-2-1-3-5-21(22)23)28-15-13-27(14-16-28)20-11-12-20/h7-10,17,20H,1-6,11-16H2.
What are the key properties of 2-(4-cyclopropylpiperazin-1-yl)-4-(4-fluorophenyl)-5,6,7,8,9,10-hexahydrocycloocta[b]pyridine?
2-(4-cyclopropylpiperazin-1-yl)-4-(4-fluorophenyl)-5,6,7,8,9,10-hexahydrocycloocta[b]pyridine has a molecular weight of 379.52 g/mol, XLogP of 4.83, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-cyclopropylpiperazin-1-yl)-4-(4-fluorophenyl)-5,6,7,8,9,10-hexahydrocycloocta[b]pyridine is sourced from PubChem (CID 15020817), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).