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

C11H20N2 — CID 84657646

IUPAC2-[2-(2,5-dihydropyrrol-1-yl)ethyl]piperidine
SMILESC1=CCN(CCC2CCCCN2)C1
InChIInChI=1S/C11H20N2/c1-2-7-12-11(5-1)6-10-13-8-3-4-9-13/h3-4,11-12H,1-2,5-10H2
InChIKeyROOXQALDXNXFAA-UHFFFAOYSA-N
MW180.30 g/mol
LogP1.39
Rot. Bonds3

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

2-[2-(2,5-dihydropyrrol-1-yl)ethyl]piperidine (PubChem CID 84657646) has the molecular formula C11H20N2 and a molecular weight of 180.30 g/mol. Its IUPAC name is 2-[2-(2,5-dihydropyrrol-1-yl)ethyl]piperidine.

Molecular Properties

Compound Name2-[2-(2,5-dihydropyrrol-1-yl)ethyl]piperidine
PubChem CID84657646
Molecular FormulaC11H20N2
Molecular Weight180.30 g/mol
Exact Mass180.16
IUPAC Name2-[2-(2,5-dihydropyrrol-1-yl)ethyl]piperidine
SMILESC1=CCN(CCC2CCCCN2)C1
InChIInChI=1S/C11H20N2/c1-2-7-12-11(5-1)6-10-13-8-3-4-9-13/h3-4,11-12H,1-2,5-10H2
InChIKeyROOXQALDXNXFAA-UHFFFAOYSA-N
XLogP1.39
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500180.30
LogP ≤ 51.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

1-ethyl-4-(2-piperidin-2-ylethyl)piperazine
CID 43149889
2-(3,6-dihydro-2H-pyridin-1-ylmethyl)azepane
CID 114410507
4-methyl-1-(2-piperidin-2-ylethyl)piperidine;dihydrochloride
CID 56831635
(2S)-2-[3-[(2S)-piperidin-2-yl]propyl]piperidine
CID 29416072
(2R)-2-[3-[(2R)-piperidin-2-yl]propyl]piperidine
CID 29416085
CID 176937281
CID 176937281
N,N-dimethyl-1-(2-piperidin-2-ylethyl)piperidin-4-amine
CID 43586097
1-(2-methylpropyl)-4-(2-piperidin-2-ylethyl)piperazine
CID 62777599
1-phenyl-4-(2-piperidin-2-ylethyl)piperazine
CID 43149880
2-(2-piperidin-2-ylethyl)-3,4-dihydro-1H-isoquinoline;dihydrochloride
CID 53408872
3-ethyl-1-(2-piperidin-2-ylethyl)piperidine
CID 43584590
2-[2-(triazol-1-yl)ethyl]azepane
CID 141161255

Frequently Asked Questions

What is the IUPAC name of 2-[2-(2,5-dihydropyrrol-1-yl)ethyl]piperidine?
The IUPAC name of 2-[2-(2,5-dihydropyrrol-1-yl)ethyl]piperidine (CID 84657646) is 2-[2-(2,5-dihydropyrrol-1-yl)ethyl]piperidine.
What is the SMILES notation for 2-[2-(2,5-dihydropyrrol-1-yl)ethyl]piperidine?
The canonical SMILES for 2-[2-(2,5-dihydropyrrol-1-yl)ethyl]piperidine is C1=CCN(CCC2CCCCN2)C1.
What is the InChIKey of 2-[2-(2,5-dihydropyrrol-1-yl)ethyl]piperidine?
The InChIKey is ROOXQALDXNXFAA-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20N2/c1-2-7-12-11(5-1)6-10-13-8-3-4-9-13/h3-4,11-12H,1-2,5-10H2.
What are the key properties of 2-[2-(2,5-dihydropyrrol-1-yl)ethyl]piperidine?
2-[2-(2,5-dihydropyrrol-1-yl)ethyl]piperidine has a molecular weight of 180.30 g/mol, XLogP of 1.39, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(2,5-dihydropyrrol-1-yl)ethyl]piperidine is sourced from PubChem (CID 84657646), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).