1-[(4S)-4-methoxypyrrolidin-3-yl]-4-methylpiperidine

C11H22N2O — CID 79678003

IUPAC1-[(4S)-4-methoxypyrrolidin-3-yl]-4-methylpiperidine
SMILESCO[C@H]1CNCC1N1CCC(C)CC1
InChIInChI=1S/C11H22N2O/c1-9-3-5-13(6-4-9)10-7-12-8-11(10)14-2/h9-12H,3-8H2,1-2H3/t10?,11-/m0/s1
InChIKeyJIYIVFHFXYEYTM-DTIOYNMSSA-N
MW198.31 g/mol
LogP0.71
Rot. Bonds2

About 1-[(4S)-4-methoxypyrrolidin-3-yl]-4-methylpiperidine

1-[(4S)-4-methoxypyrrolidin-3-yl]-4-methylpiperidine (PubChem CID 79678003) has the molecular formula C11H22N2O and a molecular weight of 198.31 g/mol. Its IUPAC name is 1-[(4S)-4-methoxypyrrolidin-3-yl]-4-methylpiperidine.

Molecular Properties

Compound Name1-[(4S)-4-methoxypyrrolidin-3-yl]-4-methylpiperidine
PubChem CID79678003
Molecular FormulaC11H22N2O
Molecular Weight198.31 g/mol
Exact Mass198.17
IUPAC Name1-[(4S)-4-methoxypyrrolidin-3-yl]-4-methylpiperidine
SMILESCO[C@H]1CNCC1N1CCC(C)CC1
InChIInChI=1S/C11H22N2O/c1-9-3-5-13(6-4-9)10-7-12-8-11(10)14-2/h9-12H,3-8H2,1-2H3/t10?,11-/m0/s1
InChIKeyJIYIVFHFXYEYTM-DTIOYNMSSA-N
XLogP0.71
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500198.31
LogP ≤ 50.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-[(4S)-4-methoxypyrrolidin-3-yl]-4-methylpiperidine?
The IUPAC name of 1-[(4S)-4-methoxypyrrolidin-3-yl]-4-methylpiperidine (CID 79678003) is 1-[(4S)-4-methoxypyrrolidin-3-yl]-4-methylpiperidine.
What is the SMILES notation for 1-[(4S)-4-methoxypyrrolidin-3-yl]-4-methylpiperidine?
The canonical SMILES for 1-[(4S)-4-methoxypyrrolidin-3-yl]-4-methylpiperidine is CO[C@H]1CNCC1N1CCC(C)CC1.
What is the InChIKey of 1-[(4S)-4-methoxypyrrolidin-3-yl]-4-methylpiperidine?
The InChIKey is JIYIVFHFXYEYTM-DTIOYNMSSA-N. The full InChI is InChI=1S/C11H22N2O/c1-9-3-5-13(6-4-9)10-7-12-8-11(10)14-2/h9-12H,3-8H2,1-2H3/t10?,11-/m0/s1.
What are the key properties of 1-[(4S)-4-methoxypyrrolidin-3-yl]-4-methylpiperidine?
1-[(4S)-4-methoxypyrrolidin-3-yl]-4-methylpiperidine has a molecular weight of 198.31 g/mol, XLogP of 0.71, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(4S)-4-methoxypyrrolidin-3-yl]-4-methylpiperidine is sourced from PubChem (CID 79678003), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).