1-(2-propan-2-yloxyphenyl)-4-[[4-(pyrrolidin-1-ylmethyl)phenyl]methyl]piperazine

C25H35N3O — CID 10524634

IUPAC1-(2-propan-2-yloxyphenyl)-4-[[4-(pyrrolidin-1-ylmethyl)phenyl]methyl]piperazine
SMILESCC(C)Oc1ccccc1N1CCN(Cc2ccc(CN3CCCC3)cc2)CC1
InChIInChI=1S/C25H35N3O/c1-21(2)29-25-8-4-3-7-24(25)28-17-15-27(16-18-28)20-23-11-9-22(10-12-23)19-26-13-5-6-14-26/h3-4,7-12,21H,5-6,13-20H2,1-2H3
InChIKeyFQWVDNDCLCTKQZ-UHFFFAOYSA-N
MW393.58 g/mol
LogP4.39
Rot. Bonds7

About 1-(2-propan-2-yloxyphenyl)-4-[[4-(pyrrolidin-1-ylmethyl)phenyl]methyl]piperazine

1-(2-propan-2-yloxyphenyl)-4-[[4-(pyrrolidin-1-ylmethyl)phenyl]methyl]piperazine (PubChem CID 10524634) has the molecular formula C25H35N3O and a molecular weight of 393.58 g/mol. Its IUPAC name is 1-(2-propan-2-yloxyphenyl)-4-[[4-(pyrrolidin-1-ylmethyl)phenyl]methyl]piperazine.

Molecular Properties

Compound Name1-(2-propan-2-yloxyphenyl)-4-[[4-(pyrrolidin-1-ylmethyl)phenyl]methyl]piperazine
PubChem CID10524634
Molecular FormulaC25H35N3O
Molecular Weight393.58 g/mol
Exact Mass393.28
IUPAC Name1-(2-propan-2-yloxyphenyl)-4-[[4-(pyrrolidin-1-ylmethyl)phenyl]methyl]piperazine
SMILESCC(C)Oc1ccccc1N1CCN(Cc2ccc(CN3CCCC3)cc2)CC1
InChIInChI=1S/C25H35N3O/c1-21(2)29-25-8-4-3-7-24(25)28-17-15-27(16-18-28)20-23-11-9-22(10-12-23)19-26-13-5-6-14-26/h3-4,7-12,21H,5-6,13-20H2,1-2H3
InChIKeyFQWVDNDCLCTKQZ-UHFFFAOYSA-N
XLogP4.39
TPSA18.95 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500393.58
LogP ≤ 54.39
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 1-(2-propan-2-yloxyphenyl)-4-[[4-(pyrrolidin-1-ylmethyl)phenyl]methyl]piperazine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 1-(2-propan-2-yloxyphenyl)-4-[[4-(pyrrolidin-1-ylmethyl)phenyl]methyl]piperazine?
The IUPAC name of 1-(2-propan-2-yloxyphenyl)-4-[[4-(pyrrolidin-1-ylmethyl)phenyl]methyl]piperazine (CID 10524634) is 1-(2-propan-2-yloxyphenyl)-4-[[4-(pyrrolidin-1-ylmethyl)phenyl]methyl]piperazine.
What is the SMILES notation for 1-(2-propan-2-yloxyphenyl)-4-[[4-(pyrrolidin-1-ylmethyl)phenyl]methyl]piperazine?
The canonical SMILES for 1-(2-propan-2-yloxyphenyl)-4-[[4-(pyrrolidin-1-ylmethyl)phenyl]methyl]piperazine is CC(C)Oc1ccccc1N1CCN(Cc2ccc(CN3CCCC3)cc2)CC1.
What is the InChIKey of 1-(2-propan-2-yloxyphenyl)-4-[[4-(pyrrolidin-1-ylmethyl)phenyl]methyl]piperazine?
The InChIKey is FQWVDNDCLCTKQZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H35N3O/c1-21(2)29-25-8-4-3-7-24(25)28-17-15-27(16-18-28)20-23-11-9-22(10-12-23)19-26-13-5-6-14-26/h3-4,7-12,21H,5-6,13-20H2,1-2H3.
What are the key properties of 1-(2-propan-2-yloxyphenyl)-4-[[4-(pyrrolidin-1-ylmethyl)phenyl]methyl]piperazine?
1-(2-propan-2-yloxyphenyl)-4-[[4-(pyrrolidin-1-ylmethyl)phenyl]methyl]piperazine has a molecular weight of 393.58 g/mol, XLogP of 4.39, 7 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-propan-2-yloxyphenyl)-4-[[4-(pyrrolidin-1-ylmethyl)phenyl]methyl]piperazine is sourced from PubChem (CID 10524634), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).