1-(3-amino-4-pyridinyl)-3-methylpiperidin-3-ol

C11H17N3O — CID 69047250

IUPAC1-(3-amino-4-pyridinyl)-3-methylpiperidin-3-ol
SMILESCC1(O)CCCN(c2ccncc2N)C1
InChIInChI=1S/C11H17N3O/c1-11(15)4-2-6-14(8-11)10-3-5-13-7-9(10)12/h3,5,7,15H,2,4,6,8,12H2,1H3
InChIKeyDYKWPEGFGULZFN-UHFFFAOYSA-N
MW207.28 g/mol
LogP1.01
Rot. Bonds1

About 1-(3-amino-4-pyridinyl)-3-methylpiperidin-3-ol

1-(3-amino-4-pyridinyl)-3-methylpiperidin-3-ol (PubChem CID 69047250) has the molecular formula C11H17N3O and a molecular weight of 207.28 g/mol. Its IUPAC name is 1-(3-amino-4-pyridinyl)-3-methylpiperidin-3-ol.

Molecular Properties

Compound Name1-(3-amino-4-pyridinyl)-3-methylpiperidin-3-ol
PubChem CID69047250
Molecular FormulaC11H17N3O
Molecular Weight207.28 g/mol
Exact Mass207.14
IUPAC Name1-(3-amino-4-pyridinyl)-3-methylpiperidin-3-ol
SMILESCC1(O)CCCN(c2ccncc2N)C1
InChIInChI=1S/C11H17N3O/c1-11(15)4-2-6-14(8-11)10-3-5-13-7-9(10)12/h3,5,7,15H,2,4,6,8,12H2,1H3
InChIKeyDYKWPEGFGULZFN-UHFFFAOYSA-N
XLogP1.01
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 ≤ 51.01
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-(3-amino-4-pyridinyl)-3-methylpiperidin-3-ol?
The IUPAC name of 1-(3-amino-4-pyridinyl)-3-methylpiperidin-3-ol (CID 69047250) is 1-(3-amino-4-pyridinyl)-3-methylpiperidin-3-ol.
What is the SMILES notation for 1-(3-amino-4-pyridinyl)-3-methylpiperidin-3-ol?
The canonical SMILES for 1-(3-amino-4-pyridinyl)-3-methylpiperidin-3-ol is CC1(O)CCCN(c2ccncc2N)C1.
What is the InChIKey of 1-(3-amino-4-pyridinyl)-3-methylpiperidin-3-ol?
The InChIKey is DYKWPEGFGULZFN-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17N3O/c1-11(15)4-2-6-14(8-11)10-3-5-13-7-9(10)12/h3,5,7,15H,2,4,6,8,12H2,1H3.
What are the key properties of 1-(3-amino-4-pyridinyl)-3-methylpiperidin-3-ol?
1-(3-amino-4-pyridinyl)-3-methylpiperidin-3-ol has a molecular weight of 207.28 g/mol, XLogP of 1.01, 1 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-amino-4-pyridinyl)-3-methylpiperidin-3-ol is sourced from PubChem (CID 69047250), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).