(3-amino-4-pyridinyl)-[2-(hydroxymethyl)piperidin-1-yl]methanone

C12H17N3O2 — CID 105069483

IUPAC(3-amino-4-pyridinyl)-[2-(hydroxymethyl)piperidin-1-yl]methanone
SMILESNc1cnccc1C(=O)N1CCCCC1CO
InChIInChI=1S/C12H17N3O2/c13-11-7-14-5-4-10(11)12(17)15-6-2-1-3-9(15)8-16/h4-5,7,9,16H,1-3,6,8,13H2
InChIKeyUZICQBXDNLSEGU-UHFFFAOYSA-N
MW235.29 g/mol
LogP0.65
Rot. Bonds2

About (3-amino-4-pyridinyl)-[2-(hydroxymethyl)piperidin-1-yl]methanone

(3-amino-4-pyridinyl)-[2-(hydroxymethyl)piperidin-1-yl]methanone (PubChem CID 105069483) has the molecular formula C12H17N3O2 and a molecular weight of 235.29 g/mol. Its IUPAC name is (3-amino-4-pyridinyl)-[2-(hydroxymethyl)piperidin-1-yl]methanone.

Molecular Properties

Compound Name(3-amino-4-pyridinyl)-[2-(hydroxymethyl)piperidin-1-yl]methanone
PubChem CID105069483
Molecular FormulaC12H17N3O2
Molecular Weight235.29 g/mol
Exact Mass235.13
IUPAC Name(3-amino-4-pyridinyl)-[2-(hydroxymethyl)piperidin-1-yl]methanone
SMILESNc1cnccc1C(=O)N1CCCCC1CO
InChIInChI=1S/C12H17N3O2/c13-11-7-14-5-4-10(11)12(17)15-6-2-1-3-9(15)8-16/h4-5,7,9,16H,1-3,6,8,13H2
InChIKeyUZICQBXDNLSEGU-UHFFFAOYSA-N
XLogP0.65
TPSA79.45 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.29
LogP ≤ 50.65
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

(3-fluoro-4-pyridinyl)-[2-(hydroxymethyl)piperidin-1-yl]methanone
CID 64950702
(4-chloro-3-pyridinyl)-[2-(hydroxymethyl)piperidin-1-yl]methanone
CID 81225917
[2-(hydroxymethyl)pyrrolidin-1-yl]-(3-hydroxy-4-pyridinyl)methanone
CID 81443421
(3-amino-4-pyridinyl)-[2-[(dimethylamino)methyl]pyrrolidin-1-yl]methanone
CID 105069899
[2-(hydroxymethyl)azepan-1-yl]-[3-(methylamino)-4-pyridinyl]methanone
CID 105071412
[2-(hydroxymethyl)azepan-1-yl]-pyridin-4-ylmethanone
CID 116636376
(5-amino-2-methyl-3-pyridinyl)-[2-(hydroxymethyl)piperidin-1-yl]methanone
CID 61039382
[2-(2-chloroethyl)piperidin-1-yl]-(3-hydroxy-4-pyridinyl)methanone
CID 81443059
(2-chlorofuran-3-yl)-[2-(hydroxymethyl)piperidin-1-yl]methanone
CID 106685775
(5-amino-2-pyridinyl)-[2-(hydroxymethyl)azepan-1-yl]methanone
CID 116633795
[2-(aminomethyl)pyrrolidin-1-yl]-(3-chloro-4-pyridinyl)methanone
CID 81482675
(2-ethylpiperidin-1-yl)-(4-methyl-3-pyridinyl)methanone
CID 110855901

Frequently Asked Questions

What is the IUPAC name of (3-amino-4-pyridinyl)-[2-(hydroxymethyl)piperidin-1-yl]methanone?
The IUPAC name of (3-amino-4-pyridinyl)-[2-(hydroxymethyl)piperidin-1-yl]methanone (CID 105069483) is (3-amino-4-pyridinyl)-[2-(hydroxymethyl)piperidin-1-yl]methanone.
What is the SMILES notation for (3-amino-4-pyridinyl)-[2-(hydroxymethyl)piperidin-1-yl]methanone?
The canonical SMILES for (3-amino-4-pyridinyl)-[2-(hydroxymethyl)piperidin-1-yl]methanone is Nc1cnccc1C(=O)N1CCCCC1CO.
What is the InChIKey of (3-amino-4-pyridinyl)-[2-(hydroxymethyl)piperidin-1-yl]methanone?
The InChIKey is UZICQBXDNLSEGU-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17N3O2/c13-11-7-14-5-4-10(11)12(17)15-6-2-1-3-9(15)8-16/h4-5,7,9,16H,1-3,6,8,13H2.
What are the key properties of (3-amino-4-pyridinyl)-[2-(hydroxymethyl)piperidin-1-yl]methanone?
(3-amino-4-pyridinyl)-[2-(hydroxymethyl)piperidin-1-yl]methanone has a molecular weight of 235.29 g/mol, XLogP of 0.65, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3-amino-4-pyridinyl)-[2-(hydroxymethyl)piperidin-1-yl]methanone is sourced from PubChem (CID 105069483), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).