N-[[3-(3-fluorophenyl)pyrazolidin-4-yl]methyl]-N-[[1-(1-methylpiperidin-4-yl)piperidin-4-yl]methyl]ethanamine

C24H40FN5 — CID 74556928

IUPACN-[[3-(3-fluorophenyl)pyrazolidin-4-yl]methyl]-N-[[1-(1-methylpiperidin-4-yl)piperidin-4-yl]methyl]ethanamine
SMILESCCN(CC1CCN(C2CCN(C)CC2)CC1)CC1CNNC1c1cccc(F)c1
InChIInChI=1S/C24H40FN5/c1-3-29(18-21-16-26-27-24(21)20-5-4-6-22(25)15-20)17-19-7-13-30(14-8-19)23-9-11-28(2)12-10-23/h4-6,15,19,21,23-24,26-27H,3,7-14,16-18H2,1-2H3
InChIKeyFZDOJUZNYYHIGP-UHFFFAOYSA-N
MW417.62 g/mol
LogP2.72
Rot. Bonds7

About N-[[3-(3-fluorophenyl)pyrazolidin-4-yl]methyl]-N-[[1-(1-methylpiperidin-4-yl)piperidin-4-yl]methyl]ethanamine

N-[[3-(3-fluorophenyl)pyrazolidin-4-yl]methyl]-N-[[1-(1-methylpiperidin-4-yl)piperidin-4-yl]methyl]ethanamine (PubChem CID 74556928) has the molecular formula C24H40FN5 and a molecular weight of 417.62 g/mol. Its IUPAC name is N-[[3-(3-fluorophenyl)pyrazolidin-4-yl]methyl]-N-[[1-(1-methylpiperidin-4-yl)piperidin-4-yl]methyl]ethanamine.

Molecular Properties

Compound NameN-[[3-(3-fluorophenyl)pyrazolidin-4-yl]methyl]-N-[[1-(1-methylpiperidin-4-yl)piperidin-4-yl]methyl]ethanamine
PubChem CID74556928
Molecular FormulaC24H40FN5
Molecular Weight417.62 g/mol
Exact Mass417.33
IUPAC NameN-[[3-(3-fluorophenyl)pyrazolidin-4-yl]methyl]-N-[[1-(1-methylpiperidin-4-yl)piperidin-4-yl]methyl]ethanamine
SMILESCCN(CC1CCN(C2CCN(C)CC2)CC1)CC1CNNC1c1cccc(F)c1
InChIInChI=1S/C24H40FN5/c1-3-29(18-21-16-26-27-24(21)20-5-4-6-22(25)15-20)17-19-7-13-30(14-8-19)23-9-11-28(2)12-10-23/h4-6,15,19,21,23-24,26-27H,3,7-14,16-18H2,1-2H3
InChIKeyFZDOJUZNYYHIGP-UHFFFAOYSA-N
XLogP2.72
TPSA33.78 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500417.62
LogP ≤ 52.72
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[[3-(3-fluorophenyl)pyrazolidin-4-yl]methyl]-N-[[1-(1-methylpiperidin-4-yl)piperidin-4-yl]methyl]ethanamine?
The IUPAC name of N-[[3-(3-fluorophenyl)pyrazolidin-4-yl]methyl]-N-[[1-(1-methylpiperidin-4-yl)piperidin-4-yl]methyl]ethanamine (CID 74556928) is N-[[3-(3-fluorophenyl)pyrazolidin-4-yl]methyl]-N-[[1-(1-methylpiperidin-4-yl)piperidin-4-yl]methyl]ethanamine.
What is the SMILES notation for N-[[3-(3-fluorophenyl)pyrazolidin-4-yl]methyl]-N-[[1-(1-methylpiperidin-4-yl)piperidin-4-yl]methyl]ethanamine?
The canonical SMILES for N-[[3-(3-fluorophenyl)pyrazolidin-4-yl]methyl]-N-[[1-(1-methylpiperidin-4-yl)piperidin-4-yl]methyl]ethanamine is CCN(CC1CCN(C2CCN(C)CC2)CC1)CC1CNNC1c1cccc(F)c1.
What is the InChIKey of N-[[3-(3-fluorophenyl)pyrazolidin-4-yl]methyl]-N-[[1-(1-methylpiperidin-4-yl)piperidin-4-yl]methyl]ethanamine?
The InChIKey is FZDOJUZNYYHIGP-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H40FN5/c1-3-29(18-21-16-26-27-24(21)20-5-4-6-22(25)15-20)17-19-7-13-30(14-8-19)23-9-11-28(2)12-10-23/h4-6,15,19,21,23-24,26-27H,3,7-14,16-18H2,1-2H3.
What are the key properties of N-[[3-(3-fluorophenyl)pyrazolidin-4-yl]methyl]-N-[[1-(1-methylpiperidin-4-yl)piperidin-4-yl]methyl]ethanamine?
N-[[3-(3-fluorophenyl)pyrazolidin-4-yl]methyl]-N-[[1-(1-methylpiperidin-4-yl)piperidin-4-yl]methyl]ethanamine has a molecular weight of 417.62 g/mol, XLogP of 2.72, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[3-(3-fluorophenyl)pyrazolidin-4-yl]methyl]-N-[[1-(1-methylpiperidin-4-yl)piperidin-4-yl]methyl]ethanamine is sourced from PubChem (CID 74556928), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).