1-benzyl-4-pyrrol-1-ylpiperidine

C16H20N2 — CID 2779264

IUPAC1-benzyl-4-pyrrol-1-ylpiperidine
SMILESc1ccc(CN2CCC(n3cccc3)CC2)cc1
InChIInChI=1S/C16H20N2/c1-2-6-15(7-3-1)14-17-12-8-16(9-13-17)18-10-4-5-11-18/h1-7,10-11,16H,8-9,12-14H2
InChIKeyUPRFZLANTXURKF-UHFFFAOYSA-N
MW240.35 g/mol
LogP3.33
Rot. Bonds3

About 1-benzyl-4-pyrrol-1-ylpiperidine

1-benzyl-4-pyrrol-1-ylpiperidine (PubChem CID 2779264) has the molecular formula C16H20N2 and a molecular weight of 240.35 g/mol. Its IUPAC name is 1-benzyl-4-pyrrol-1-ylpiperidine.

Molecular Properties

Compound Name1-benzyl-4-pyrrol-1-ylpiperidine
PubChem CID2779264
Molecular FormulaC16H20N2
Molecular Weight240.35 g/mol
Exact Mass240.16
IUPAC Name1-benzyl-4-pyrrol-1-ylpiperidine
SMILESc1ccc(CN2CCC(n3cccc3)CC2)cc1
InChIInChI=1S/C16H20N2/c1-2-6-15(7-3-1)14-17-12-8-16(9-13-17)18-10-4-5-11-18/h1-7,10-11,16H,8-9,12-14H2
InChIKeyUPRFZLANTXURKF-UHFFFAOYSA-N
XLogP3.33
TPSA8.17 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.35
LogP ≤ 53.33
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-benzyl-4-pyrrol-1-ylpiperidine?
The IUPAC name of 1-benzyl-4-pyrrol-1-ylpiperidine (CID 2779264) is 1-benzyl-4-pyrrol-1-ylpiperidine.
What is the SMILES notation for 1-benzyl-4-pyrrol-1-ylpiperidine?
The canonical SMILES for 1-benzyl-4-pyrrol-1-ylpiperidine is c1ccc(CN2CCC(n3cccc3)CC2)cc1.
What is the InChIKey of 1-benzyl-4-pyrrol-1-ylpiperidine?
The InChIKey is UPRFZLANTXURKF-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20N2/c1-2-6-15(7-3-1)14-17-12-8-16(9-13-17)18-10-4-5-11-18/h1-7,10-11,16H,8-9,12-14H2.
What are the key properties of 1-benzyl-4-pyrrol-1-ylpiperidine?
1-benzyl-4-pyrrol-1-ylpiperidine has a molecular weight of 240.35 g/mol, XLogP of 3.33, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-benzyl-4-pyrrol-1-ylpiperidine is sourced from PubChem (CID 2779264), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).