3,4-dimethoxy-1-propan-2-ylpiperidine

C10H21NO2 — CID 126655674

IUPAC3,4-dimethoxy-1-propan-2-ylpiperidine
SMILESCOC1CCN(C(C)C)CC1OC
InChIInChI=1S/C10H21NO2/c1-8(2)11-6-5-9(12-3)10(7-11)13-4/h8-10H,5-7H2,1-4H3
InChIKeyYUZMHXZQIWMYLB-UHFFFAOYSA-N
MW187.28 g/mol
LogP1.13
Rot. Bonds3

About 3,4-dimethoxy-1-propan-2-ylpiperidine

3,4-dimethoxy-1-propan-2-ylpiperidine (PubChem CID 126655674) has the molecular formula C10H21NO2 and a molecular weight of 187.28 g/mol. Its IUPAC name is 3,4-dimethoxy-1-propan-2-ylpiperidine.

Molecular Properties

Compound Name3,4-dimethoxy-1-propan-2-ylpiperidine
PubChem CID126655674
Molecular FormulaC10H21NO2
Molecular Weight187.28 g/mol
Exact Mass187.16
IUPAC Name3,4-dimethoxy-1-propan-2-ylpiperidine
SMILESCOC1CCN(C(C)C)CC1OC
InChIInChI=1S/C10H21NO2/c1-8(2)11-6-5-9(12-3)10(7-11)13-4/h8-10H,5-7H2,1-4H3
InChIKeyYUZMHXZQIWMYLB-UHFFFAOYSA-N
XLogP1.13
TPSA21.70 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500187.28
LogP ≤ 51.13
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3,4-dimethoxy-1-propan-2-ylpiperidine?
The IUPAC name of 3,4-dimethoxy-1-propan-2-ylpiperidine (CID 126655674) is 3,4-dimethoxy-1-propan-2-ylpiperidine.
What is the SMILES notation for 3,4-dimethoxy-1-propan-2-ylpiperidine?
The canonical SMILES for 3,4-dimethoxy-1-propan-2-ylpiperidine is COC1CCN(C(C)C)CC1OC.
What is the InChIKey of 3,4-dimethoxy-1-propan-2-ylpiperidine?
The InChIKey is YUZMHXZQIWMYLB-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H21NO2/c1-8(2)11-6-5-9(12-3)10(7-11)13-4/h8-10H,5-7H2,1-4H3.
What are the key properties of 3,4-dimethoxy-1-propan-2-ylpiperidine?
3,4-dimethoxy-1-propan-2-ylpiperidine has a molecular weight of 187.28 g/mol, XLogP of 1.13, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3,4-dimethoxy-1-propan-2-ylpiperidine is sourced from PubChem (CID 126655674), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).