(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

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Related Compounds

1-(6-tert-butyl-3-pyridinyl)-N,N-dimethylpyrrolidin-3-amine
CID 134595807
3-(6-tert-butyl-3-pyridinyl)-8-oxa-3-azabicyclo[3.2.1]octane
CID 155245209
(3R,5S)-1-(6-tert-butyl-3-pyridinyl)-3,5-dimethylpiperazine
CID 135253699
(3S)-1-(6-bromo-3-pyridinyl)pyrrolidin-3-ol
CID 95731179
(3S)-1-(2-aminopyrimidin-5-yl)pyrrolidin-3-ol
CID 89174477
1-[(6-tert-butyl-3-pyridinyl)methyl]piperidin-4-ol
CID 134595430
(3S)-1-[(6-tert-butyl-3-pyridinyl)methyl]piperidin-3-ol
CID 134595793
[(3R)-1-[6-(trifluoromethyl)-3-pyridinyl]pyrrolidin-3-yl]methanol
CID 169180430
(3S)-1-(6-tert-butylpyridazin-3-yl)piperidin-3-ol
CID 134595598
1-phenylpyrrolidin-3-ol
CID 11171152
(3S)-1-(2-tert-butylpyrazolo[1,5-a]pyrazin-4-yl)pyrrolidin-3-ol
CID 104892904
(3S)-1-(4-bromophenyl)pyrrolidin-3-ol
CID 67148437

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).