3-(2,5-dihydro-1H-pyrrol-3-ylmethyl)-1-methylpiperidine

C11H20N2 — CID 155180863

IUPAC3-(2,5-dihydro-1H-pyrrol-3-ylmethyl)-1-methylpiperidine
SMILESCN1CCCC(CC2=CCNC2)C1
InChIInChI=1S/C11H20N2/c1-13-6-2-3-11(9-13)7-10-4-5-12-8-10/h4,11-12H,2-3,5-9H2,1H3
InChIKeyIHTVQBFMPWUHSW-UHFFFAOYSA-N
MW180.29 g/mol
LogP1.25
Rot. Bonds2

About 3-(2,5-dihydro-1H-pyrrol-3-ylmethyl)-1-methylpiperidine

3-(2,5-dihydro-1H-pyrrol-3-ylmethyl)-1-methylpiperidine (PubChem CID 155180863) has the molecular formula C11H20N2 and a molecular weight of 180.29 g/mol. Its IUPAC name is 3-(2,5-dihydro-1H-pyrrol-3-ylmethyl)-1-methylpiperidine.

Molecular Properties

Compound Name3-(2,5-dihydro-1H-pyrrol-3-ylmethyl)-1-methylpiperidine
PubChem CID155180863
Molecular FormulaC11H20N2
Molecular Weight180.29 g/mol
Exact Mass180.16
IUPAC Name3-(2,5-dihydro-1H-pyrrol-3-ylmethyl)-1-methylpiperidine
SMILESCN1CCCC(CC2=CCNC2)C1
InChIInChI=1S/C11H20N2/c1-13-6-2-3-11(9-13)7-10-4-5-12-8-10/h4,11-12H,2-3,5-9H2,1H3
InChIKeyIHTVQBFMPWUHSW-UHFFFAOYSA-N
XLogP1.25
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500180.29
LogP ≤ 51.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 3-(2,5-dihydro-1H-pyrrol-3-ylmethyl)-1-methylpiperidine?
The IUPAC name of 3-(2,5-dihydro-1H-pyrrol-3-ylmethyl)-1-methylpiperidine (CID 155180863) is 3-(2,5-dihydro-1H-pyrrol-3-ylmethyl)-1-methylpiperidine.
What is the SMILES notation for 3-(2,5-dihydro-1H-pyrrol-3-ylmethyl)-1-methylpiperidine?
The canonical SMILES for 3-(2,5-dihydro-1H-pyrrol-3-ylmethyl)-1-methylpiperidine is CN1CCCC(CC2=CCNC2)C1.
What is the InChIKey of 3-(2,5-dihydro-1H-pyrrol-3-ylmethyl)-1-methylpiperidine?
The InChIKey is IHTVQBFMPWUHSW-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20N2/c1-13-6-2-3-11(9-13)7-10-4-5-12-8-10/h4,11-12H,2-3,5-9H2,1H3.
What are the key properties of 3-(2,5-dihydro-1H-pyrrol-3-ylmethyl)-1-methylpiperidine?
3-(2,5-dihydro-1H-pyrrol-3-ylmethyl)-1-methylpiperidine has a molecular weight of 180.29 g/mol, XLogP of 1.25, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2,5-dihydro-1H-pyrrol-3-ylmethyl)-1-methylpiperidine is sourced from PubChem (CID 155180863), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).