1-[2-[(3R)-1-methylpyrrolidin-3-yl]oxyethyl]piperidine

C12H24N2O — CID 129180825

IUPAC1-[2-[(3R)-1-methylpyrrolidin-3-yl]oxyethyl]piperidine
SMILESCN1CC[C@@H](OCCN2CCCCC2)C1
InChIInChI=1S/C12H24N2O/c1-13-8-5-12(11-13)15-10-9-14-6-3-2-4-7-14/h12H,2-11H2,1H3/t12-/m1/s1
InChIKeyVYPYRNMAAIRJIW-GFCCVEGCSA-N
MW212.34 g/mol
LogP1.19
Rot. Bonds4

About 1-[2-[(3R)-1-methylpyrrolidin-3-yl]oxyethyl]piperidine

1-[2-[(3R)-1-methylpyrrolidin-3-yl]oxyethyl]piperidine (PubChem CID 129180825) has the molecular formula C12H24N2O and a molecular weight of 212.34 g/mol. Its IUPAC name is 1-[2-[(3R)-1-methylpyrrolidin-3-yl]oxyethyl]piperidine.

Molecular Properties

Compound Name1-[2-[(3R)-1-methylpyrrolidin-3-yl]oxyethyl]piperidine
PubChem CID129180825
Molecular FormulaC12H24N2O
Molecular Weight212.34 g/mol
Exact Mass212.19
IUPAC Name1-[2-[(3R)-1-methylpyrrolidin-3-yl]oxyethyl]piperidine
SMILESCN1CC[C@@H](OCCN2CCCCC2)C1
InChIInChI=1S/C12H24N2O/c1-13-8-5-12(11-13)15-10-9-14-6-3-2-4-7-14/h12H,2-11H2,1H3/t12-/m1/s1
InChIKeyVYPYRNMAAIRJIW-GFCCVEGCSA-N
XLogP1.19
TPSA15.71 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.34
LogP ≤ 51.19
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-[2-[(3R)-1-methylpyrrolidin-3-yl]oxyethyl]piperidine?
The IUPAC name of 1-[2-[(3R)-1-methylpyrrolidin-3-yl]oxyethyl]piperidine (CID 129180825) is 1-[2-[(3R)-1-methylpyrrolidin-3-yl]oxyethyl]piperidine.
What is the SMILES notation for 1-[2-[(3R)-1-methylpyrrolidin-3-yl]oxyethyl]piperidine?
The canonical SMILES for 1-[2-[(3R)-1-methylpyrrolidin-3-yl]oxyethyl]piperidine is CN1CC[C@@H](OCCN2CCCCC2)C1.
What is the InChIKey of 1-[2-[(3R)-1-methylpyrrolidin-3-yl]oxyethyl]piperidine?
The InChIKey is VYPYRNMAAIRJIW-GFCCVEGCSA-N. The full InChI is InChI=1S/C12H24N2O/c1-13-8-5-12(11-13)15-10-9-14-6-3-2-4-7-14/h12H,2-11H2,1H3/t12-/m1/s1.
What are the key properties of 1-[2-[(3R)-1-methylpyrrolidin-3-yl]oxyethyl]piperidine?
1-[2-[(3R)-1-methylpyrrolidin-3-yl]oxyethyl]piperidine has a molecular weight of 212.34 g/mol, XLogP of 1.19, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-[(3R)-1-methylpyrrolidin-3-yl]oxyethyl]piperidine is sourced from PubChem (CID 129180825), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).