2-methyl-1-[(3-naphthalen-1-ylpyrazolidin-4-yl)methyl]-4-phenylpiperazine

C25H30N4 — CID 75099145

IUPAC2-methyl-1-[(3-naphthalen-1-ylpyrazolidin-4-yl)methyl]-4-phenylpiperazine
SMILESCC1CN(c2ccccc2)CCN1CC1CNNC1c1cccc2ccccc12
InChIInChI=1S/C25H30N4/c1-19-17-29(22-10-3-2-4-11-22)15-14-28(19)18-21-16-26-27-25(21)24-13-7-9-20-8-5-6-12-23(20)24/h2-13,19,21,25-27H,14-18H2,1H3
InChIKeyPUGHFRPREFOSJC-UHFFFAOYSA-N
MW386.54 g/mol
LogP3.82
Rot. Bonds4

About 2-methyl-1-[(3-naphthalen-1-ylpyrazolidin-4-yl)methyl]-4-phenylpiperazine

2-methyl-1-[(3-naphthalen-1-ylpyrazolidin-4-yl)methyl]-4-phenylpiperazine (PubChem CID 75099145) has the molecular formula C25H30N4 and a molecular weight of 386.54 g/mol. Its IUPAC name is 2-methyl-1-[(3-naphthalen-1-ylpyrazolidin-4-yl)methyl]-4-phenylpiperazine.

Molecular Properties

Compound Name2-methyl-1-[(3-naphthalen-1-ylpyrazolidin-4-yl)methyl]-4-phenylpiperazine
PubChem CID75099145
Molecular FormulaC25H30N4
Molecular Weight386.54 g/mol
Exact Mass386.25
IUPAC Name2-methyl-1-[(3-naphthalen-1-ylpyrazolidin-4-yl)methyl]-4-phenylpiperazine
SMILESCC1CN(c2ccccc2)CCN1CC1CNNC1c1cccc2ccccc12
InChIInChI=1S/C25H30N4/c1-19-17-29(22-10-3-2-4-11-22)15-14-28(19)18-21-16-26-27-25(21)24-13-7-9-20-8-5-6-12-23(20)24/h2-13,19,21,25-27H,14-18H2,1H3
InChIKeyPUGHFRPREFOSJC-UHFFFAOYSA-N
XLogP3.82
TPSA30.54 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500386.54
LogP ≤ 53.82
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-methyl-1-[(3-naphthalen-1-ylpyrazolidin-4-yl)methyl]-4-phenylpiperazine?
The IUPAC name of 2-methyl-1-[(3-naphthalen-1-ylpyrazolidin-4-yl)methyl]-4-phenylpiperazine (CID 75099145) is 2-methyl-1-[(3-naphthalen-1-ylpyrazolidin-4-yl)methyl]-4-phenylpiperazine.
What is the SMILES notation for 2-methyl-1-[(3-naphthalen-1-ylpyrazolidin-4-yl)methyl]-4-phenylpiperazine?
The canonical SMILES for 2-methyl-1-[(3-naphthalen-1-ylpyrazolidin-4-yl)methyl]-4-phenylpiperazine is CC1CN(c2ccccc2)CCN1CC1CNNC1c1cccc2ccccc12.
What is the InChIKey of 2-methyl-1-[(3-naphthalen-1-ylpyrazolidin-4-yl)methyl]-4-phenylpiperazine?
The InChIKey is PUGHFRPREFOSJC-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H30N4/c1-19-17-29(22-10-3-2-4-11-22)15-14-28(19)18-21-16-26-27-25(21)24-13-7-9-20-8-5-6-12-23(20)24/h2-13,19,21,25-27H,14-18H2,1H3.
What are the key properties of 2-methyl-1-[(3-naphthalen-1-ylpyrazolidin-4-yl)methyl]-4-phenylpiperazine?
2-methyl-1-[(3-naphthalen-1-ylpyrazolidin-4-yl)methyl]-4-phenylpiperazine has a molecular weight of 386.54 g/mol, XLogP of 3.82, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-1-[(3-naphthalen-1-ylpyrazolidin-4-yl)methyl]-4-phenylpiperazine is sourced from PubChem (CID 75099145), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).