1-[(1-methyl-2,3-dihydropyrrol-5-yl)methyl]piperidine

C11H20N2 — CID 67815611

IUPAC1-[(1-methyl-2,3-dihydropyrrol-5-yl)methyl]piperidine
SMILESCN1CCC=C1CN1CCCCC1
InChIInChI=1S/C11H20N2/c1-12-7-5-6-11(12)10-13-8-3-2-4-9-13/h6H,2-5,7-10H2,1H3
InChIKeyATJGBEJKSGUHQA-UHFFFAOYSA-N
MW180.29 g/mol
LogP1.69
Rot. Bonds2

About 1-[(1-methyl-2,3-dihydropyrrol-5-yl)methyl]piperidine

1-[(1-methyl-2,3-dihydropyrrol-5-yl)methyl]piperidine (PubChem CID 67815611) has the molecular formula C11H20N2 and a molecular weight of 180.29 g/mol. Its IUPAC name is 1-[(1-methyl-2,3-dihydropyrrol-5-yl)methyl]piperidine.

Molecular Properties

Compound Name1-[(1-methyl-2,3-dihydropyrrol-5-yl)methyl]piperidine
PubChem CID67815611
Molecular FormulaC11H20N2
Molecular Weight180.29 g/mol
Exact Mass180.16
IUPAC Name1-[(1-methyl-2,3-dihydropyrrol-5-yl)methyl]piperidine
SMILESCN1CCC=C1CN1CCCCC1
InChIInChI=1S/C11H20N2/c1-12-7-5-6-11(12)10-13-8-3-2-4-9-13/h6H,2-5,7-10H2,1H3
InChIKeyATJGBEJKSGUHQA-UHFFFAOYSA-N
XLogP1.69
TPSA6.48 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500180.29
LogP ≤ 51.69
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-[(1-methyl-2,3-dihydropyrrol-5-yl)methyl]piperidine?
The IUPAC name of 1-[(1-methyl-2,3-dihydropyrrol-5-yl)methyl]piperidine (CID 67815611) is 1-[(1-methyl-2,3-dihydropyrrol-5-yl)methyl]piperidine.
What is the SMILES notation for 1-[(1-methyl-2,3-dihydropyrrol-5-yl)methyl]piperidine?
The canonical SMILES for 1-[(1-methyl-2,3-dihydropyrrol-5-yl)methyl]piperidine is CN1CCC=C1CN1CCCCC1.
What is the InChIKey of 1-[(1-methyl-2,3-dihydropyrrol-5-yl)methyl]piperidine?
The InChIKey is ATJGBEJKSGUHQA-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20N2/c1-12-7-5-6-11(12)10-13-8-3-2-4-9-13/h6H,2-5,7-10H2,1H3.
What are the key properties of 1-[(1-methyl-2,3-dihydropyrrol-5-yl)methyl]piperidine?
1-[(1-methyl-2,3-dihydropyrrol-5-yl)methyl]piperidine has a molecular weight of 180.29 g/mol, XLogP of 1.69, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(1-methyl-2,3-dihydropyrrol-5-yl)methyl]piperidine is sourced from PubChem (CID 67815611), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).