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

C12H17N3O2 — CID 62151239

IUPAC(6-amino-3-pyridinyl)-[3-(hydroxymethyl)piperidin-1-yl]methanone
SMILESNc1ccc(C(=O)N2CCCC(CO)C2)cn1
InChIInChI=1S/C12H17N3O2/c13-11-4-3-10(6-14-11)12(17)15-5-1-2-9(7-15)8-16/h3-4,6,9,16H,1-2,5,7-8H2,(H2,13,14)
InChIKeyCSZHGCHXMHNQAH-UHFFFAOYSA-N
MW235.29 g/mol
LogP0.51
Rot. Bonds2

About (6-amino-3-pyridinyl)-[3-(hydroxymethyl)piperidin-1-yl]methanone

(6-amino-3-pyridinyl)-[3-(hydroxymethyl)piperidin-1-yl]methanone (PubChem CID 62151239) has the molecular formula C12H17N3O2 and a molecular weight of 235.29 g/mol. Its IUPAC name is (6-amino-3-pyridinyl)-[3-(hydroxymethyl)piperidin-1-yl]methanone.

Molecular Properties

Compound Name(6-amino-3-pyridinyl)-[3-(hydroxymethyl)piperidin-1-yl]methanone
PubChem CID62151239
Molecular FormulaC12H17N3O2
Molecular Weight235.29 g/mol
Exact Mass235.13
IUPAC Name(6-amino-3-pyridinyl)-[3-(hydroxymethyl)piperidin-1-yl]methanone
SMILESNc1ccc(C(=O)N2CCCC(CO)C2)cn1
InChIInChI=1S/C12H17N3O2/c13-11-4-3-10(6-14-11)12(17)15-5-1-2-9(7-15)8-16/h3-4,6,9,16H,1-2,5,7-8H2,(H2,13,14)
InChIKeyCSZHGCHXMHNQAH-UHFFFAOYSA-N
XLogP0.51
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 ≤ 50.51
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

(6-amino-3-pyridinyl)-[3-(hydroxymethyl)pyrrolidin-1-yl]methanone
CID 112628622
(6-amino-3-pyridinyl)-[3-[(4-fluorophenoxy)methyl]piperidin-1-yl]methanone
CID 70772604
(6-amino-3-pyridinyl)-[(3R)-3-[2-[2-(trifluoromethyl)phenyl]ethyl]piperidin-1-yl]methanone
CID 95551304
3,4,4a,5,6,7,8,8a-octahydro-1H-isoquinolin-2-yl-(6-amino-3-pyridinyl)methanone
CID 55037357
2,3-dihydro-1H-inden-5-yl-[3-(hydroxymethyl)piperidin-1-yl]methanone
CID 43422317
(6-amino-3-pyridinyl)-[(3R)-3-piperidin-1-ylpyrrolidin-1-yl]methanone
CID 95026394
4-[3-(hydroxymethyl)piperidine-1-carbonyl]pyridine-2-carboxylic acid
CID 113384996
(5-bromo-3-pyridinyl)-[3-(hydroxymethyl)piperidin-1-yl]methanone
CID 43422045
(3,4-difluorophenyl)-[3-(hydroxymethyl)piperidin-1-yl]methanone
CID 43422289
[(3S)-3-(hydroxymethyl)pyrrolidin-1-yl]-(6-methoxy-3-pyridinyl)methanone
CID 129367707
(2-amino-4-pyridinyl)-[3-(2-hydroxyethyl)piperidin-1-yl]methanone
CID 107228705
[3-(hydroxymethyl)piperidin-1-yl]-thiophen-3-ylmethanone
CID 43422291

Frequently Asked Questions

What is the IUPAC name of (6-amino-3-pyridinyl)-[3-(hydroxymethyl)piperidin-1-yl]methanone?
The IUPAC name of (6-amino-3-pyridinyl)-[3-(hydroxymethyl)piperidin-1-yl]methanone (CID 62151239) is (6-amino-3-pyridinyl)-[3-(hydroxymethyl)piperidin-1-yl]methanone.
What is the SMILES notation for (6-amino-3-pyridinyl)-[3-(hydroxymethyl)piperidin-1-yl]methanone?
The canonical SMILES for (6-amino-3-pyridinyl)-[3-(hydroxymethyl)piperidin-1-yl]methanone is Nc1ccc(C(=O)N2CCCC(CO)C2)cn1.
What is the InChIKey of (6-amino-3-pyridinyl)-[3-(hydroxymethyl)piperidin-1-yl]methanone?
The InChIKey is CSZHGCHXMHNQAH-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17N3O2/c13-11-4-3-10(6-14-11)12(17)15-5-1-2-9(7-15)8-16/h3-4,6,9,16H,1-2,5,7-8H2,(H2,13,14).
What are the key properties of (6-amino-3-pyridinyl)-[3-(hydroxymethyl)piperidin-1-yl]methanone?
(6-amino-3-pyridinyl)-[3-(hydroxymethyl)piperidin-1-yl]methanone has a molecular weight of 235.29 g/mol, XLogP of 0.51, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (6-amino-3-pyridinyl)-[3-(hydroxymethyl)piperidin-1-yl]methanone is sourced from PubChem (CID 62151239), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).