1-piperidin-4-ylpyrrolidin-3-ol

C9H18N2O — CID 53408162

IUPAC1-piperidin-4-ylpyrrolidin-3-ol
SMILESOC1CCN(C2CCNCC2)C1
InChIInChI=1S/C9H18N2O/c12-9-3-6-11(7-9)8-1-4-10-5-2-8/h8-10,12H,1-7H2
InChIKeyYOPJIBNHTGRIKM-UHFFFAOYSA-N
MW170.26 g/mol
LogP-0.19
Rot. Bonds1

About 1-piperidin-4-ylpyrrolidin-3-ol

1-piperidin-4-ylpyrrolidin-3-ol (PubChem CID 53408162) has the molecular formula C9H18N2O and a molecular weight of 170.26 g/mol. Its IUPAC name is 1-piperidin-4-ylpyrrolidin-3-ol.

Molecular Properties

Compound Name1-piperidin-4-ylpyrrolidin-3-ol
PubChem CID53408162
Molecular FormulaC9H18N2O
Molecular Weight170.26 g/mol
Exact Mass170.14
IUPAC Name1-piperidin-4-ylpyrrolidin-3-ol
SMILESOC1CCN(C2CCNCC2)C1
InChIInChI=1S/C9H18N2O/c12-9-3-6-11(7-9)8-1-4-10-5-2-8/h8-10,12H,1-7H2
InChIKeyYOPJIBNHTGRIKM-UHFFFAOYSA-N
XLogP-0.19
TPSA35.50 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500170.26
LogP ≤ 5-0.19
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-piperidin-4-ylpyrrolidin-3-ol?
The IUPAC name of 1-piperidin-4-ylpyrrolidin-3-ol (CID 53408162) is 1-piperidin-4-ylpyrrolidin-3-ol.
What is the SMILES notation for 1-piperidin-4-ylpyrrolidin-3-ol?
The canonical SMILES for 1-piperidin-4-ylpyrrolidin-3-ol is OC1CCN(C2CCNCC2)C1.
What is the InChIKey of 1-piperidin-4-ylpyrrolidin-3-ol?
The InChIKey is YOPJIBNHTGRIKM-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H18N2O/c12-9-3-6-11(7-9)8-1-4-10-5-2-8/h8-10,12H,1-7H2.
What are the key properties of 1-piperidin-4-ylpyrrolidin-3-ol?
1-piperidin-4-ylpyrrolidin-3-ol has a molecular weight of 170.26 g/mol, XLogP of -0.19, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-piperidin-4-ylpyrrolidin-3-ol is sourced from PubChem (CID 53408162), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).