4-(3,5-dimethylpiperidin-1-yl)pyrrolidin-3-ol

C11H22N2O — CID 63703405

IUPAC4-(3,5-dimethylpiperidin-1-yl)pyrrolidin-3-ol
SMILESCC1CC(C)CN(C2CNCC2O)C1
InChIInChI=1S/C11H22N2O/c1-8-3-9(2)7-13(6-8)10-4-12-5-11(10)14/h8-12,14H,3-7H2,1-2H3
InChIKeyVFFTVLYSCHGYPB-UHFFFAOYSA-N
MW198.31 g/mol
LogP0.30
Rot. Bonds1

About 4-(3,5-dimethylpiperidin-1-yl)pyrrolidin-3-ol

4-(3,5-dimethylpiperidin-1-yl)pyrrolidin-3-ol (PubChem CID 63703405) has the molecular formula C11H22N2O and a molecular weight of 198.31 g/mol. Its IUPAC name is 4-(3,5-dimethylpiperidin-1-yl)pyrrolidin-3-ol.

Molecular Properties

Compound Name4-(3,5-dimethylpiperidin-1-yl)pyrrolidin-3-ol
PubChem CID63703405
Molecular FormulaC11H22N2O
Molecular Weight198.31 g/mol
Exact Mass198.17
IUPAC Name4-(3,5-dimethylpiperidin-1-yl)pyrrolidin-3-ol
SMILESCC1CC(C)CN(C2CNCC2O)C1
InChIInChI=1S/C11H22N2O/c1-8-3-9(2)7-13(6-8)10-4-12-5-11(10)14/h8-12,14H,3-7H2,1-2H3
InChIKeyVFFTVLYSCHGYPB-UHFFFAOYSA-N
XLogP0.30
TPSA35.50 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500198.31
LogP ≤ 50.30
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-(3,5-dimethylpiperidin-1-yl)pyrrolidin-3-ol?
The IUPAC name of 4-(3,5-dimethylpiperidin-1-yl)pyrrolidin-3-ol (CID 63703405) is 4-(3,5-dimethylpiperidin-1-yl)pyrrolidin-3-ol.
What is the SMILES notation for 4-(3,5-dimethylpiperidin-1-yl)pyrrolidin-3-ol?
The canonical SMILES for 4-(3,5-dimethylpiperidin-1-yl)pyrrolidin-3-ol is CC1CC(C)CN(C2CNCC2O)C1.
What is the InChIKey of 4-(3,5-dimethylpiperidin-1-yl)pyrrolidin-3-ol?
The InChIKey is VFFTVLYSCHGYPB-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H22N2O/c1-8-3-9(2)7-13(6-8)10-4-12-5-11(10)14/h8-12,14H,3-7H2,1-2H3.
What are the key properties of 4-(3,5-dimethylpiperidin-1-yl)pyrrolidin-3-ol?
4-(3,5-dimethylpiperidin-1-yl)pyrrolidin-3-ol has a molecular weight of 198.31 g/mol, XLogP of 0.30, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3,5-dimethylpiperidin-1-yl)pyrrolidin-3-ol is sourced from PubChem (CID 63703405), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).