2-(1-ethylpyrrolidin-3-yl)-2-methylpiperidine

C12H24N2 — CID 117271125

IUPAC2-(1-ethylpyrrolidin-3-yl)-2-methylpiperidine
SMILESCCN1CCC(C2(C)CCCCN2)C1
InChIInChI=1S/C12H24N2/c1-3-14-9-6-11(10-14)12(2)7-4-5-8-13-12/h11,13H,3-10H2,1-2H3
InChIKeyXFIKQXWGORPWQU-UHFFFAOYSA-N
MW196.34 g/mol
LogP1.86
Rot. Bonds2

About 2-(1-ethylpyrrolidin-3-yl)-2-methylpiperidine

2-(1-ethylpyrrolidin-3-yl)-2-methylpiperidine (PubChem CID 117271125) has the molecular formula C12H24N2 and a molecular weight of 196.34 g/mol. Its IUPAC name is 2-(1-ethylpyrrolidin-3-yl)-2-methylpiperidine.

Molecular Properties

Compound Name2-(1-ethylpyrrolidin-3-yl)-2-methylpiperidine
PubChem CID117271125
Molecular FormulaC12H24N2
Molecular Weight196.34 g/mol
Exact Mass196.19
IUPAC Name2-(1-ethylpyrrolidin-3-yl)-2-methylpiperidine
SMILESCCN1CCC(C2(C)CCCCN2)C1
InChIInChI=1S/C12H24N2/c1-3-14-9-6-11(10-14)12(2)7-4-5-8-13-12/h11,13H,3-10H2,1-2H3
InChIKeyXFIKQXWGORPWQU-UHFFFAOYSA-N
XLogP1.86
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500196.34
LogP ≤ 51.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-(1-ethylpyrrolidin-3-yl)-2-methylpiperidine?
The IUPAC name of 2-(1-ethylpyrrolidin-3-yl)-2-methylpiperidine (CID 117271125) is 2-(1-ethylpyrrolidin-3-yl)-2-methylpiperidine.
What is the SMILES notation for 2-(1-ethylpyrrolidin-3-yl)-2-methylpiperidine?
The canonical SMILES for 2-(1-ethylpyrrolidin-3-yl)-2-methylpiperidine is CCN1CCC(C2(C)CCCCN2)C1.
What is the InChIKey of 2-(1-ethylpyrrolidin-3-yl)-2-methylpiperidine?
The InChIKey is XFIKQXWGORPWQU-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H24N2/c1-3-14-9-6-11(10-14)12(2)7-4-5-8-13-12/h11,13H,3-10H2,1-2H3.
What are the key properties of 2-(1-ethylpyrrolidin-3-yl)-2-methylpiperidine?
2-(1-ethylpyrrolidin-3-yl)-2-methylpiperidine has a molecular weight of 196.34 g/mol, XLogP of 1.86, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-ethylpyrrolidin-3-yl)-2-methylpiperidine is sourced from PubChem (CID 117271125), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).