4-[4-(3-fluorophenyl)pyrazolidin-3-yl]-1-[(2-methylphenyl)methyl]piperidine

C22H28FN3 — CID 74780915

IUPAC4-[4-(3-fluorophenyl)pyrazolidin-3-yl]-1-[(2-methylphenyl)methyl]piperidine
SMILESCc1ccccc1CN1CCC(C2NNCC2c2cccc(F)c2)CC1
InChIInChI=1S/C22H28FN3/c1-16-5-2-3-6-19(16)15-26-11-9-17(10-12-26)22-21(14-24-25-22)18-7-4-8-20(23)13-18/h2-8,13,17,21-22,24-25H,9-12,14-15H2,1H3
InChIKeyAMGZSNOHPHEQPN-UHFFFAOYSA-N
MW353.49 g/mol
LogP3.61
Rot. Bonds4

About 4-[4-(3-fluorophenyl)pyrazolidin-3-yl]-1-[(2-methylphenyl)methyl]piperidine

4-[4-(3-fluorophenyl)pyrazolidin-3-yl]-1-[(2-methylphenyl)methyl]piperidine (PubChem CID 74780915) 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-[(2-methylphenyl)methyl]piperidine.

Molecular Properties

Compound Name4-[4-(3-fluorophenyl)pyrazolidin-3-yl]-1-[(2-methylphenyl)methyl]piperidine
PubChem CID74780915
Molecular FormulaC22H28FN3
Molecular Weight353.49 g/mol
Exact Mass353.23
IUPAC Name4-[4-(3-fluorophenyl)pyrazolidin-3-yl]-1-[(2-methylphenyl)methyl]piperidine
SMILESCc1ccccc1CN1CCC(C2NNCC2c2cccc(F)c2)CC1
InChIInChI=1S/C22H28FN3/c1-16-5-2-3-6-19(16)15-26-11-9-17(10-12-26)22-21(14-24-25-22)18-7-4-8-20(23)13-18/h2-8,13,17,21-22,24-25H,9-12,14-15H2,1H3
InChIKeyAMGZSNOHPHEQPN-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-[(2-methylphenyl)methyl]piperidine?
The IUPAC name of 4-[4-(3-fluorophenyl)pyrazolidin-3-yl]-1-[(2-methylphenyl)methyl]piperidine (CID 74780915) is 4-[4-(3-fluorophenyl)pyrazolidin-3-yl]-1-[(2-methylphenyl)methyl]piperidine.
What is the SMILES notation for 4-[4-(3-fluorophenyl)pyrazolidin-3-yl]-1-[(2-methylphenyl)methyl]piperidine?
The canonical SMILES for 4-[4-(3-fluorophenyl)pyrazolidin-3-yl]-1-[(2-methylphenyl)methyl]piperidine is Cc1ccccc1CN1CCC(C2NNCC2c2cccc(F)c2)CC1.
What is the InChIKey of 4-[4-(3-fluorophenyl)pyrazolidin-3-yl]-1-[(2-methylphenyl)methyl]piperidine?
The InChIKey is AMGZSNOHPHEQPN-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H28FN3/c1-16-5-2-3-6-19(16)15-26-11-9-17(10-12-26)22-21(14-24-25-22)18-7-4-8-20(23)13-18/h2-8,13,17,21-22,24-25H,9-12,14-15H2,1H3.
What are the key properties of 4-[4-(3-fluorophenyl)pyrazolidin-3-yl]-1-[(2-methylphenyl)methyl]piperidine?
4-[4-(3-fluorophenyl)pyrazolidin-3-yl]-1-[(2-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-[(2-methylphenyl)methyl]piperidine is sourced from PubChem (CID 74780915), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).