3-benzyl-5-[1-(2-fluorophenyl)piperidin-4-yl]-1,2,3,3a,4,6,7,7a-octahydropyrazolo[4,3-c]pyridine

C24H31FN4 — CID 74581394

IUPAC3-benzyl-5-[1-(2-fluorophenyl)piperidin-4-yl]-1,2,3,3a,4,6,7,7a-octahydropyrazolo[4,3-c]pyridine
SMILESFc1ccccc1N1CCC(N2CCC3NNC(Cc4ccccc4)C3C2)CC1
InChIInChI=1S/C24H31FN4/c25-21-8-4-5-9-24(21)28-13-10-19(11-14-28)29-15-12-22-20(17-29)23(27-26-22)16-18-6-2-1-3-7-18/h1-9,19-20,22-23,26-27H,10-17H2
InChIKeySYWQWNZHYANDCY-UHFFFAOYSA-N
MW394.54 g/mol
LogP3.20
Rot. Bonds4

About 3-benzyl-5-[1-(2-fluorophenyl)piperidin-4-yl]-1,2,3,3a,4,6,7,7a-octahydropyrazolo[4,3-c]pyridine

3-benzyl-5-[1-(2-fluorophenyl)piperidin-4-yl]-1,2,3,3a,4,6,7,7a-octahydropyrazolo[4,3-c]pyridine (PubChem CID 74581394) has the molecular formula C24H31FN4 and a molecular weight of 394.54 g/mol. Its IUPAC name is 3-benzyl-5-[1-(2-fluorophenyl)piperidin-4-yl]-1,2,3,3a,4,6,7,7a-octahydropyrazolo[4,3-c]pyridine.

Molecular Properties

Compound Name3-benzyl-5-[1-(2-fluorophenyl)piperidin-4-yl]-1,2,3,3a,4,6,7,7a-octahydropyrazolo[4,3-c]pyridine
PubChem CID74581394
Molecular FormulaC24H31FN4
Molecular Weight394.54 g/mol
Exact Mass394.25
IUPAC Name3-benzyl-5-[1-(2-fluorophenyl)piperidin-4-yl]-1,2,3,3a,4,6,7,7a-octahydropyrazolo[4,3-c]pyridine
SMILESFc1ccccc1N1CCC(N2CCC3NNC(Cc4ccccc4)C3C2)CC1
InChIInChI=1S/C24H31FN4/c25-21-8-4-5-9-24(21)28-13-10-19(11-14-28)29-15-12-22-20(17-29)23(27-26-22)16-18-6-2-1-3-7-18/h1-9,19-20,22-23,26-27H,10-17H2
InChIKeySYWQWNZHYANDCY-UHFFFAOYSA-N
XLogP3.20
TPSA30.54 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500394.54
LogP ≤ 53.20
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-benzyl-5-[1-(2-fluorophenyl)piperidin-4-yl]-1,2,3,3a,4,6,7,7a-octahydropyrazolo[4,3-c]pyridine?
The IUPAC name of 3-benzyl-5-[1-(2-fluorophenyl)piperidin-4-yl]-1,2,3,3a,4,6,7,7a-octahydropyrazolo[4,3-c]pyridine (CID 74581394) is 3-benzyl-5-[1-(2-fluorophenyl)piperidin-4-yl]-1,2,3,3a,4,6,7,7a-octahydropyrazolo[4,3-c]pyridine.
What is the SMILES notation for 3-benzyl-5-[1-(2-fluorophenyl)piperidin-4-yl]-1,2,3,3a,4,6,7,7a-octahydropyrazolo[4,3-c]pyridine?
The canonical SMILES for 3-benzyl-5-[1-(2-fluorophenyl)piperidin-4-yl]-1,2,3,3a,4,6,7,7a-octahydropyrazolo[4,3-c]pyridine is Fc1ccccc1N1CCC(N2CCC3NNC(Cc4ccccc4)C3C2)CC1.
What is the InChIKey of 3-benzyl-5-[1-(2-fluorophenyl)piperidin-4-yl]-1,2,3,3a,4,6,7,7a-octahydropyrazolo[4,3-c]pyridine?
The InChIKey is SYWQWNZHYANDCY-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H31FN4/c25-21-8-4-5-9-24(21)28-13-10-19(11-14-28)29-15-12-22-20(17-29)23(27-26-22)16-18-6-2-1-3-7-18/h1-9,19-20,22-23,26-27H,10-17H2.
What are the key properties of 3-benzyl-5-[1-(2-fluorophenyl)piperidin-4-yl]-1,2,3,3a,4,6,7,7a-octahydropyrazolo[4,3-c]pyridine?
3-benzyl-5-[1-(2-fluorophenyl)piperidin-4-yl]-1,2,3,3a,4,6,7,7a-octahydropyrazolo[4,3-c]pyridine has a molecular weight of 394.54 g/mol, XLogP of 3.20, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-benzyl-5-[1-(2-fluorophenyl)piperidin-4-yl]-1,2,3,3a,4,6,7,7a-octahydropyrazolo[4,3-c]pyridine is sourced from PubChem (CID 74581394), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).