(3R)-1-(6-tert-butyl-3-pyridinyl)pyrrolidin-3-ol

C13H20N2O — CID 171604045

IUPAC(3R)-1-(6-tert-butyl-3-pyridinyl)pyrrolidin-3-ol
SMILESCC(C)(C)c1ccc(N2CC[C@@H](O)C2)cn1
InChIInChI=1S/C13H20N2O/c1-13(2,3)12-5-4-10(8-14-12)15-7-6-11(16)9-15/h4-5,8,11,16H,6-7,9H2,1-3H3/t11-/m1/s1
InChIKeyBOVMDAVDKXPRNK-LLVKDONJSA-N
MW220.32 g/mol
LogP1.95
Rot. Bonds1

About (3R)-1-(6-tert-butyl-3-pyridinyl)pyrrolidin-3-ol

(3R)-1-(6-tert-butyl-3-pyridinyl)pyrrolidin-3-ol (PubChem CID 171604045) has the molecular formula C13H20N2O and a molecular weight of 220.32 g/mol. Its IUPAC name is (3R)-1-(6-tert-butyl-3-pyridinyl)pyrrolidin-3-ol.

Molecular Properties

Compound Name(3R)-1-(6-tert-butyl-3-pyridinyl)pyrrolidin-3-ol
PubChem CID171604045
Molecular FormulaC13H20N2O
Molecular Weight220.32 g/mol
Exact Mass220.16
IUPAC Name(3R)-1-(6-tert-butyl-3-pyridinyl)pyrrolidin-3-ol
SMILESCC(C)(C)c1ccc(N2CC[C@@H](O)C2)cn1
InChIInChI=1S/C13H20N2O/c1-13(2,3)12-5-4-10(8-14-12)15-7-6-11(16)9-15/h4-5,8,11,16H,6-7,9H2,1-3H3/t11-/m1/s1
InChIKeyBOVMDAVDKXPRNK-LLVKDONJSA-N
XLogP1.95
TPSA36.36 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.32
LogP ≤ 51.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze (3R)-1-(6-tert-butyl-3-pyridinyl)pyrrolidin-3-ol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of (3R)-1-(6-tert-butyl-3-pyridinyl)pyrrolidin-3-ol?
The IUPAC name of (3R)-1-(6-tert-butyl-3-pyridinyl)pyrrolidin-3-ol (CID 171604045) is (3R)-1-(6-tert-butyl-3-pyridinyl)pyrrolidin-3-ol.
What is the SMILES notation for (3R)-1-(6-tert-butyl-3-pyridinyl)pyrrolidin-3-ol?
The canonical SMILES for (3R)-1-(6-tert-butyl-3-pyridinyl)pyrrolidin-3-ol is CC(C)(C)c1ccc(N2CC[C@@H](O)C2)cn1.
What is the InChIKey of (3R)-1-(6-tert-butyl-3-pyridinyl)pyrrolidin-3-ol?
The InChIKey is BOVMDAVDKXPRNK-LLVKDONJSA-N. The full InChI is InChI=1S/C13H20N2O/c1-13(2,3)12-5-4-10(8-14-12)15-7-6-11(16)9-15/h4-5,8,11,16H,6-7,9H2,1-3H3/t11-/m1/s1.
What are the key properties of (3R)-1-(6-tert-butyl-3-pyridinyl)pyrrolidin-3-ol?
(3R)-1-(6-tert-butyl-3-pyridinyl)pyrrolidin-3-ol has a molecular weight of 220.32 g/mol, XLogP of 1.95, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-1-(6-tert-butyl-3-pyridinyl)pyrrolidin-3-ol is sourced from PubChem (CID 171604045), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).