(3R,4R)-1-(3-amino-2-pyridinyl)-3-methylpiperidin-4-ol

C11H17N3O — CID 129445700

IUPAC(3R,4R)-1-(3-amino-2-pyridinyl)-3-methylpiperidin-4-ol
SMILESC[C@@H]1CN(c2ncccc2N)CC[C@H]1O
InChIInChI=1S/C11H17N3O/c1-8-7-14(6-4-10(8)15)11-9(12)3-2-5-13-11/h2-3,5,8,10,15H,4,6-7,12H2,1H3/t8-,10-/m1/s1
InChIKeyRUIVLAVDIMPIAF-PSASIEDQSA-N
MW207.28 g/mol
LogP0.87
Rot. Bonds1

About (3R,4R)-1-(3-amino-2-pyridinyl)-3-methylpiperidin-4-ol

(3R,4R)-1-(3-amino-2-pyridinyl)-3-methylpiperidin-4-ol (PubChem CID 129445700) has the molecular formula C11H17N3O and a molecular weight of 207.28 g/mol. Its IUPAC name is (3R,4R)-1-(3-amino-2-pyridinyl)-3-methylpiperidin-4-ol.

Molecular Properties

Compound Name(3R,4R)-1-(3-amino-2-pyridinyl)-3-methylpiperidin-4-ol
PubChem CID129445700
Molecular FormulaC11H17N3O
Molecular Weight207.28 g/mol
Exact Mass207.14
IUPAC Name(3R,4R)-1-(3-amino-2-pyridinyl)-3-methylpiperidin-4-ol
SMILESC[C@@H]1CN(c2ncccc2N)CC[C@H]1O
InChIInChI=1S/C11H17N3O/c1-8-7-14(6-4-10(8)15)11-9(12)3-2-5-13-11/h2-3,5,8,10,15H,4,6-7,12H2,1H3/t8-,10-/m1/s1
InChIKeyRUIVLAVDIMPIAF-PSASIEDQSA-N
XLogP0.87
TPSA62.38 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.28
LogP ≤ 50.87
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (3R,4R)-1-(3-amino-2-pyridinyl)-3-methylpiperidin-4-ol?
The IUPAC name of (3R,4R)-1-(3-amino-2-pyridinyl)-3-methylpiperidin-4-ol (CID 129445700) is (3R,4R)-1-(3-amino-2-pyridinyl)-3-methylpiperidin-4-ol.
What is the SMILES notation for (3R,4R)-1-(3-amino-2-pyridinyl)-3-methylpiperidin-4-ol?
The canonical SMILES for (3R,4R)-1-(3-amino-2-pyridinyl)-3-methylpiperidin-4-ol is C[C@@H]1CN(c2ncccc2N)CC[C@H]1O.
What is the InChIKey of (3R,4R)-1-(3-amino-2-pyridinyl)-3-methylpiperidin-4-ol?
The InChIKey is RUIVLAVDIMPIAF-PSASIEDQSA-N. The full InChI is InChI=1S/C11H17N3O/c1-8-7-14(6-4-10(8)15)11-9(12)3-2-5-13-11/h2-3,5,8,10,15H,4,6-7,12H2,1H3/t8-,10-/m1/s1.
What are the key properties of (3R,4R)-1-(3-amino-2-pyridinyl)-3-methylpiperidin-4-ol?
(3R,4R)-1-(3-amino-2-pyridinyl)-3-methylpiperidin-4-ol has a molecular weight of 207.28 g/mol, XLogP of 0.87, 1 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3R,4R)-1-(3-amino-2-pyridinyl)-3-methylpiperidin-4-ol is sourced from PubChem (CID 129445700), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).