N-[[3-(4-fluorophenyl)pyrazolidin-4-yl]methyl]-N-[(1-methylpiperidin-4-yl)methyl]-2-phenylethanamine

C25H35FN4 — CID 74610544

IUPACN-[[3-(4-fluorophenyl)pyrazolidin-4-yl]methyl]-N-[(1-methylpiperidin-4-yl)methyl]-2-phenylethanamine
SMILESCN1CCC(CN(CCc2ccccc2)CC2CNNC2c2ccc(F)cc2)CC1
InChIInChI=1S/C25H35FN4/c1-29-14-11-21(12-15-29)18-30(16-13-20-5-3-2-4-6-20)19-23-17-27-28-25(23)22-7-9-24(26)10-8-22/h2-10,21,23,25,27-28H,11-19H2,1H3
InChIKeyUXCGJVFUGHSKPL-UHFFFAOYSA-N
MW410.58 g/mol
LogP3.48
Rot. Bonds8

About N-[[3-(4-fluorophenyl)pyrazolidin-4-yl]methyl]-N-[(1-methylpiperidin-4-yl)methyl]-2-phenylethanamine

N-[[3-(4-fluorophenyl)pyrazolidin-4-yl]methyl]-N-[(1-methylpiperidin-4-yl)methyl]-2-phenylethanamine (PubChem CID 74610544) has the molecular formula C25H35FN4 and a molecular weight of 410.58 g/mol. Its IUPAC name is N-[[3-(4-fluorophenyl)pyrazolidin-4-yl]methyl]-N-[(1-methylpiperidin-4-yl)methyl]-2-phenylethanamine.

Molecular Properties

Compound NameN-[[3-(4-fluorophenyl)pyrazolidin-4-yl]methyl]-N-[(1-methylpiperidin-4-yl)methyl]-2-phenylethanamine
PubChem CID74610544
Molecular FormulaC25H35FN4
Molecular Weight410.58 g/mol
Exact Mass410.28
IUPAC NameN-[[3-(4-fluorophenyl)pyrazolidin-4-yl]methyl]-N-[(1-methylpiperidin-4-yl)methyl]-2-phenylethanamine
SMILESCN1CCC(CN(CCc2ccccc2)CC2CNNC2c2ccc(F)cc2)CC1
InChIInChI=1S/C25H35FN4/c1-29-14-11-21(12-15-29)18-30(16-13-20-5-3-2-4-6-20)19-23-17-27-28-25(23)22-7-9-24(26)10-8-22/h2-10,21,23,25,27-28H,11-19H2,1H3
InChIKeyUXCGJVFUGHSKPL-UHFFFAOYSA-N
XLogP3.48
TPSA30.54 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500410.58
LogP ≤ 53.48
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[[3-(4-fluorophenyl)pyrazolidin-4-yl]methyl]-N-[(1-methylpiperidin-4-yl)methyl]-2-phenylethanamine?
The IUPAC name of N-[[3-(4-fluorophenyl)pyrazolidin-4-yl]methyl]-N-[(1-methylpiperidin-4-yl)methyl]-2-phenylethanamine (CID 74610544) is N-[[3-(4-fluorophenyl)pyrazolidin-4-yl]methyl]-N-[(1-methylpiperidin-4-yl)methyl]-2-phenylethanamine.
What is the SMILES notation for N-[[3-(4-fluorophenyl)pyrazolidin-4-yl]methyl]-N-[(1-methylpiperidin-4-yl)methyl]-2-phenylethanamine?
The canonical SMILES for N-[[3-(4-fluorophenyl)pyrazolidin-4-yl]methyl]-N-[(1-methylpiperidin-4-yl)methyl]-2-phenylethanamine is CN1CCC(CN(CCc2ccccc2)CC2CNNC2c2ccc(F)cc2)CC1.
What is the InChIKey of N-[[3-(4-fluorophenyl)pyrazolidin-4-yl]methyl]-N-[(1-methylpiperidin-4-yl)methyl]-2-phenylethanamine?
The InChIKey is UXCGJVFUGHSKPL-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H35FN4/c1-29-14-11-21(12-15-29)18-30(16-13-20-5-3-2-4-6-20)19-23-17-27-28-25(23)22-7-9-24(26)10-8-22/h2-10,21,23,25,27-28H,11-19H2,1H3.
What are the key properties of N-[[3-(4-fluorophenyl)pyrazolidin-4-yl]methyl]-N-[(1-methylpiperidin-4-yl)methyl]-2-phenylethanamine?
N-[[3-(4-fluorophenyl)pyrazolidin-4-yl]methyl]-N-[(1-methylpiperidin-4-yl)methyl]-2-phenylethanamine has a molecular weight of 410.58 g/mol, XLogP of 3.48, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[3-(4-fluorophenyl)pyrazolidin-4-yl]methyl]-N-[(1-methylpiperidin-4-yl)methyl]-2-phenylethanamine is sourced from PubChem (CID 74610544), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).