4-(3,4-dimethoxypyrrolidin-1-yl)-3-methylpiperidine

C12H24N2O2 — CID 103534210

IUPAC4-(3,4-dimethoxypyrrolidin-1-yl)-3-methylpiperidine
SMILESCOC1CN(C2CCNCC2C)CC1OC
InChIInChI=1S/C12H24N2O2/c1-9-6-13-5-4-10(9)14-7-11(15-2)12(8-14)16-3/h9-13H,4-8H2,1-3H3
InChIKeyYGLBWCPUQSNQTM-UHFFFAOYSA-N
MW228.34 g/mol
LogP0.33
Rot. Bonds3

About 4-(3,4-dimethoxypyrrolidin-1-yl)-3-methylpiperidine

4-(3,4-dimethoxypyrrolidin-1-yl)-3-methylpiperidine (PubChem CID 103534210) has the molecular formula C12H24N2O2 and a molecular weight of 228.34 g/mol. Its IUPAC name is 4-(3,4-dimethoxypyrrolidin-1-yl)-3-methylpiperidine.

Molecular Properties

Compound Name4-(3,4-dimethoxypyrrolidin-1-yl)-3-methylpiperidine
PubChem CID103534210
Molecular FormulaC12H24N2O2
Molecular Weight228.34 g/mol
Exact Mass228.18
IUPAC Name4-(3,4-dimethoxypyrrolidin-1-yl)-3-methylpiperidine
SMILESCOC1CN(C2CCNCC2C)CC1OC
InChIInChI=1S/C12H24N2O2/c1-9-6-13-5-4-10(9)14-7-11(15-2)12(8-14)16-3/h9-13H,4-8H2,1-3H3
InChIKeyYGLBWCPUQSNQTM-UHFFFAOYSA-N
XLogP0.33
TPSA33.73 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.34
LogP ≤ 50.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-(3,4-dimethoxypyrrolidin-1-yl)-3-methylpiperidine?
The IUPAC name of 4-(3,4-dimethoxypyrrolidin-1-yl)-3-methylpiperidine (CID 103534210) is 4-(3,4-dimethoxypyrrolidin-1-yl)-3-methylpiperidine.
What is the SMILES notation for 4-(3,4-dimethoxypyrrolidin-1-yl)-3-methylpiperidine?
The canonical SMILES for 4-(3,4-dimethoxypyrrolidin-1-yl)-3-methylpiperidine is COC1CN(C2CCNCC2C)CC1OC.
What is the InChIKey of 4-(3,4-dimethoxypyrrolidin-1-yl)-3-methylpiperidine?
The InChIKey is YGLBWCPUQSNQTM-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H24N2O2/c1-9-6-13-5-4-10(9)14-7-11(15-2)12(8-14)16-3/h9-13H,4-8H2,1-3H3.
What are the key properties of 4-(3,4-dimethoxypyrrolidin-1-yl)-3-methylpiperidine?
4-(3,4-dimethoxypyrrolidin-1-yl)-3-methylpiperidine has a molecular weight of 228.34 g/mol, XLogP of 0.33, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3,4-dimethoxypyrrolidin-1-yl)-3-methylpiperidine is sourced from PubChem (CID 103534210), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).