4-[4-(3-fluorophenyl)pyrazolidin-3-yl]-1-[(3-methylphenyl)methyl]piperidine

C22H28FN3 — CID 74567998

IUPAC4-[4-(3-fluorophenyl)pyrazolidin-3-yl]-1-[(3-methylphenyl)methyl]piperidine
SMILESCc1cccc(CN2CCC(C3NNCC3c3cccc(F)c3)CC2)c1
InChIInChI=1S/C22H28FN3/c1-16-4-2-5-17(12-16)15-26-10-8-18(9-11-26)22-21(14-24-25-22)19-6-3-7-20(23)13-19/h2-7,12-13,18,21-22,24-25H,8-11,14-15H2,1H3
InChIKeyYBUILQIJGQZPHN-UHFFFAOYSA-N
MW353.49 g/mol
LogP3.61
Rot. Bonds4

About 4-[4-(3-fluorophenyl)pyrazolidin-3-yl]-1-[(3-methylphenyl)methyl]piperidine

4-[4-(3-fluorophenyl)pyrazolidin-3-yl]-1-[(3-methylphenyl)methyl]piperidine (PubChem CID 74567998) has the molecular formula C22H28FN3 and a molecular weight of 353.49 g/mol. Its IUPAC name is 4-[4-(3-fluorophenyl)pyrazolidin-3-yl]-1-[(3-methylphenyl)methyl]piperidine.

Molecular Properties

Compound Name4-[4-(3-fluorophenyl)pyrazolidin-3-yl]-1-[(3-methylphenyl)methyl]piperidine
PubChem CID74567998
Molecular FormulaC22H28FN3
Molecular Weight353.49 g/mol
Exact Mass353.23
IUPAC Name4-[4-(3-fluorophenyl)pyrazolidin-3-yl]-1-[(3-methylphenyl)methyl]piperidine
SMILESCc1cccc(CN2CCC(C3NNCC3c3cccc(F)c3)CC2)c1
InChIInChI=1S/C22H28FN3/c1-16-4-2-5-17(12-16)15-26-10-8-18(9-11-26)22-21(14-24-25-22)19-6-3-7-20(23)13-19/h2-7,12-13,18,21-22,24-25H,8-11,14-15H2,1H3
InChIKeyYBUILQIJGQZPHN-UHFFFAOYSA-N
XLogP3.61
TPSA27.30 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.49
LogP ≤ 53.61
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-[4-(3-fluorophenyl)pyrazolidin-3-yl]-1-[(3-methylphenyl)methyl]piperidine?
The IUPAC name of 4-[4-(3-fluorophenyl)pyrazolidin-3-yl]-1-[(3-methylphenyl)methyl]piperidine (CID 74567998) is 4-[4-(3-fluorophenyl)pyrazolidin-3-yl]-1-[(3-methylphenyl)methyl]piperidine.
What is the SMILES notation for 4-[4-(3-fluorophenyl)pyrazolidin-3-yl]-1-[(3-methylphenyl)methyl]piperidine?
The canonical SMILES for 4-[4-(3-fluorophenyl)pyrazolidin-3-yl]-1-[(3-methylphenyl)methyl]piperidine is Cc1cccc(CN2CCC(C3NNCC3c3cccc(F)c3)CC2)c1.
What is the InChIKey of 4-[4-(3-fluorophenyl)pyrazolidin-3-yl]-1-[(3-methylphenyl)methyl]piperidine?
The InChIKey is YBUILQIJGQZPHN-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H28FN3/c1-16-4-2-5-17(12-16)15-26-10-8-18(9-11-26)22-21(14-24-25-22)19-6-3-7-20(23)13-19/h2-7,12-13,18,21-22,24-25H,8-11,14-15H2,1H3.
What are the key properties of 4-[4-(3-fluorophenyl)pyrazolidin-3-yl]-1-[(3-methylphenyl)methyl]piperidine?
4-[4-(3-fluorophenyl)pyrazolidin-3-yl]-1-[(3-methylphenyl)methyl]piperidine has a molecular weight of 353.49 g/mol, XLogP of 3.61, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-(3-fluorophenyl)pyrazolidin-3-yl]-1-[(3-methylphenyl)methyl]piperidine is sourced from PubChem (CID 74567998), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).