4-pyrrolidin-1-yl-1-[4-(2-pyrrolidin-1-ylethyl)phenyl]piperidine

C21H33N3 — CID 71598546

IUPAC4-pyrrolidin-1-yl-1-[4-(2-pyrrolidin-1-ylethyl)phenyl]piperidine
SMILESc1cc(N2CCC(N3CCCC3)CC2)ccc1CCN1CCCC1
InChIInChI=1S/C21H33N3/c1-2-13-22(12-1)16-9-19-5-7-20(8-6-19)24-17-10-21(11-18-24)23-14-3-4-15-23/h5-8,21H,1-4,9-18H2
InChIKeyJPTZZWFKOIEDMU-UHFFFAOYSA-N
MW327.52 g/mol
LogP3.39
Rot. Bonds5

About 4-pyrrolidin-1-yl-1-[4-(2-pyrrolidin-1-ylethyl)phenyl]piperidine

4-pyrrolidin-1-yl-1-[4-(2-pyrrolidin-1-ylethyl)phenyl]piperidine (PubChem CID 71598546) has the molecular formula C21H33N3 and a molecular weight of 327.52 g/mol. Its IUPAC name is 4-pyrrolidin-1-yl-1-[4-(2-pyrrolidin-1-ylethyl)phenyl]piperidine.

Molecular Properties

Compound Name4-pyrrolidin-1-yl-1-[4-(2-pyrrolidin-1-ylethyl)phenyl]piperidine
PubChem CID71598546
Molecular FormulaC21H33N3
Molecular Weight327.52 g/mol
Exact Mass327.27
IUPAC Name4-pyrrolidin-1-yl-1-[4-(2-pyrrolidin-1-ylethyl)phenyl]piperidine
SMILESc1cc(N2CCC(N3CCCC3)CC2)ccc1CCN1CCCC1
InChIInChI=1S/C21H33N3/c1-2-13-22(12-1)16-9-19-5-7-20(8-6-19)24-17-10-21(11-18-24)23-14-3-4-15-23/h5-8,21H,1-4,9-18H2
InChIKeyJPTZZWFKOIEDMU-UHFFFAOYSA-N
XLogP3.39
TPSA9.72 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.52
LogP ≤ 53.39
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_E(186)', 'substructure': 'N/A'}

Analyze 4-pyrrolidin-1-yl-1-[4-(2-pyrrolidin-1-ylethyl)phenyl]piperidine 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 4-pyrrolidin-1-yl-1-[4-(2-pyrrolidin-1-ylethyl)phenyl]piperidine?
The IUPAC name of 4-pyrrolidin-1-yl-1-[4-(2-pyrrolidin-1-ylethyl)phenyl]piperidine (CID 71598546) is 4-pyrrolidin-1-yl-1-[4-(2-pyrrolidin-1-ylethyl)phenyl]piperidine.
What is the SMILES notation for 4-pyrrolidin-1-yl-1-[4-(2-pyrrolidin-1-ylethyl)phenyl]piperidine?
The canonical SMILES for 4-pyrrolidin-1-yl-1-[4-(2-pyrrolidin-1-ylethyl)phenyl]piperidine is c1cc(N2CCC(N3CCCC3)CC2)ccc1CCN1CCCC1.
What is the InChIKey of 4-pyrrolidin-1-yl-1-[4-(2-pyrrolidin-1-ylethyl)phenyl]piperidine?
The InChIKey is JPTZZWFKOIEDMU-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H33N3/c1-2-13-22(12-1)16-9-19-5-7-20(8-6-19)24-17-10-21(11-18-24)23-14-3-4-15-23/h5-8,21H,1-4,9-18H2.
What are the key properties of 4-pyrrolidin-1-yl-1-[4-(2-pyrrolidin-1-ylethyl)phenyl]piperidine?
4-pyrrolidin-1-yl-1-[4-(2-pyrrolidin-1-ylethyl)phenyl]piperidine has a molecular weight of 327.52 g/mol, XLogP of 3.39, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-pyrrolidin-1-yl-1-[4-(2-pyrrolidin-1-ylethyl)phenyl]piperidine is sourced from PubChem (CID 71598546), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).