2,5-dimethyl-1-(4-methylpyrrolidin-3-yl)piperidine

C12H24N2 — CID 81459496

IUPAC2,5-dimethyl-1-(4-methylpyrrolidin-3-yl)piperidine
SMILESCC1CCC(C)N(C2CNCC2C)C1
InChIInChI=1S/C12H24N2/c1-9-4-5-11(3)14(8-9)12-7-13-6-10(12)2/h9-13H,4-8H2,1-3H3
InChIKeyBUSMUHMSHRZKPK-UHFFFAOYSA-N
MW196.34 g/mol
LogP1.71
Rot. Bonds1

About 2,5-dimethyl-1-(4-methylpyrrolidin-3-yl)piperidine

2,5-dimethyl-1-(4-methylpyrrolidin-3-yl)piperidine (PubChem CID 81459496) has the molecular formula C12H24N2 and a molecular weight of 196.34 g/mol. Its IUPAC name is 2,5-dimethyl-1-(4-methylpyrrolidin-3-yl)piperidine.

Molecular Properties

Compound Name2,5-dimethyl-1-(4-methylpyrrolidin-3-yl)piperidine
PubChem CID81459496
Molecular FormulaC12H24N2
Molecular Weight196.34 g/mol
Exact Mass196.19
IUPAC Name2,5-dimethyl-1-(4-methylpyrrolidin-3-yl)piperidine
SMILESCC1CCC(C)N(C2CNCC2C)C1
InChIInChI=1S/C12H24N2/c1-9-4-5-11(3)14(8-9)12-7-13-6-10(12)2/h9-13H,4-8H2,1-3H3
InChIKeyBUSMUHMSHRZKPK-UHFFFAOYSA-N
XLogP1.71
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500196.34
LogP ≤ 51.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2,5-dimethyl-1-(4-methylpyrrolidin-3-yl)piperidine?
The IUPAC name of 2,5-dimethyl-1-(4-methylpyrrolidin-3-yl)piperidine (CID 81459496) is 2,5-dimethyl-1-(4-methylpyrrolidin-3-yl)piperidine.
What is the SMILES notation for 2,5-dimethyl-1-(4-methylpyrrolidin-3-yl)piperidine?
The canonical SMILES for 2,5-dimethyl-1-(4-methylpyrrolidin-3-yl)piperidine is CC1CCC(C)N(C2CNCC2C)C1.
What is the InChIKey of 2,5-dimethyl-1-(4-methylpyrrolidin-3-yl)piperidine?
The InChIKey is BUSMUHMSHRZKPK-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H24N2/c1-9-4-5-11(3)14(8-9)12-7-13-6-10(12)2/h9-13H,4-8H2,1-3H3.
What are the key properties of 2,5-dimethyl-1-(4-methylpyrrolidin-3-yl)piperidine?
2,5-dimethyl-1-(4-methylpyrrolidin-3-yl)piperidine has a molecular weight of 196.34 g/mol, XLogP of 1.71, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,5-dimethyl-1-(4-methylpyrrolidin-3-yl)piperidine is sourced from PubChem (CID 81459496), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).