2-(2,3-dihydropyrrol-1-yl)-1-propylpiperidine

C12H22N2 — CID 118090868

IUPAC2-(2,3-dihydropyrrol-1-yl)-1-propylpiperidine
SMILESCCCN1CCCCC1N1C=CCC1
InChIInChI=1S/C12H22N2/c1-2-8-13-9-4-3-7-12(13)14-10-5-6-11-14/h5,10,12H,2-4,6-9,11H2,1H3
InChIKeyIEMJYEKICBQURT-UHFFFAOYSA-N
MW194.32 g/mol
LogP2.43
Rot. Bonds3

About 2-(2,3-dihydropyrrol-1-yl)-1-propylpiperidine

2-(2,3-dihydropyrrol-1-yl)-1-propylpiperidine (PubChem CID 118090868) has the molecular formula C12H22N2 and a molecular weight of 194.32 g/mol. Its IUPAC name is 2-(2,3-dihydropyrrol-1-yl)-1-propylpiperidine.

Molecular Properties

Compound Name2-(2,3-dihydropyrrol-1-yl)-1-propylpiperidine
PubChem CID118090868
Molecular FormulaC12H22N2
Molecular Weight194.32 g/mol
Exact Mass194.18
IUPAC Name2-(2,3-dihydropyrrol-1-yl)-1-propylpiperidine
SMILESCCCN1CCCCC1N1C=CCC1
InChIInChI=1S/C12H22N2/c1-2-8-13-9-4-3-7-12(13)14-10-5-6-11-14/h5,10,12H,2-4,6-9,11H2,1H3
InChIKeyIEMJYEKICBQURT-UHFFFAOYSA-N
XLogP2.43
TPSA6.48 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500194.32
LogP ≤ 52.43
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-(2,3-dihydropyrrol-1-yl)-1-propylpiperidine?
The IUPAC name of 2-(2,3-dihydropyrrol-1-yl)-1-propylpiperidine (CID 118090868) is 2-(2,3-dihydropyrrol-1-yl)-1-propylpiperidine.
What is the SMILES notation for 2-(2,3-dihydropyrrol-1-yl)-1-propylpiperidine?
The canonical SMILES for 2-(2,3-dihydropyrrol-1-yl)-1-propylpiperidine is CCCN1CCCCC1N1C=CCC1.
What is the InChIKey of 2-(2,3-dihydropyrrol-1-yl)-1-propylpiperidine?
The InChIKey is IEMJYEKICBQURT-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22N2/c1-2-8-13-9-4-3-7-12(13)14-10-5-6-11-14/h5,10,12H,2-4,6-9,11H2,1H3.
What are the key properties of 2-(2,3-dihydropyrrol-1-yl)-1-propylpiperidine?
2-(2,3-dihydropyrrol-1-yl)-1-propylpiperidine has a molecular weight of 194.32 g/mol, XLogP of 2.43, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,3-dihydropyrrol-1-yl)-1-propylpiperidine is sourced from PubChem (CID 118090868), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).