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

C13H19N3O2 — CID 107228705

IUPAC(2-amino-4-pyridinyl)-[3-(2-hydroxyethyl)piperidin-1-yl]methanone
SMILESNc1cc(C(=O)N2CCCC(CCO)C2)ccn1
InChIInChI=1S/C13H19N3O2/c14-12-8-11(3-5-15-12)13(18)16-6-1-2-10(9-16)4-7-17/h3,5,8,10,17H,1-2,4,6-7,9H2,(H2,14,15)
InChIKeyHMBFCIGEGVSKQQ-UHFFFAOYSA-N
MW249.31 g/mol
LogP0.90
Rot. Bonds3

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

(2-amino-4-pyridinyl)-[3-(2-hydroxyethyl)piperidin-1-yl]methanone (PubChem CID 107228705) has the molecular formula C13H19N3O2 and a molecular weight of 249.31 g/mol. Its IUPAC name is (2-amino-4-pyridinyl)-[3-(2-hydroxyethyl)piperidin-1-yl]methanone.

Molecular Properties

Compound Name(2-amino-4-pyridinyl)-[3-(2-hydroxyethyl)piperidin-1-yl]methanone
PubChem CID107228705
Molecular FormulaC13H19N3O2
Molecular Weight249.31 g/mol
Exact Mass249.15
IUPAC Name(2-amino-4-pyridinyl)-[3-(2-hydroxyethyl)piperidin-1-yl]methanone
SMILESNc1cc(C(=O)N2CCCC(CCO)C2)ccn1
InChIInChI=1S/C13H19N3O2/c14-12-8-11(3-5-15-12)13(18)16-6-1-2-10(9-16)4-7-17/h3,5,8,10,17H,1-2,4,6-7,9H2,(H2,14,15)
InChIKeyHMBFCIGEGVSKQQ-UHFFFAOYSA-N
XLogP0.90
TPSA79.45 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.31
LogP ≤ 50.90
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

(2-amino-5-chloro-4-pyridinyl)-[3-(2-hydroxyethyl)piperidin-1-yl]methanone
CID 107228718
(3-amino-2-pyridinyl)-[3-(2-hydroxyethyl)piperidin-1-yl]methanone
CID 107216905
(4-chloro-3-methylphenyl)-[3-(2-hydroxyethyl)piperidin-1-yl]methanone
CID 112706030
(3,5-dichlorophenyl)-[3-(2-hydroxyethyl)piperidin-1-yl]methanone
CID 62372685
(3-bromophenyl)-[3-(2-hydroxyethyl)piperidin-1-yl]methanone
CID 62372501
[3-(2-hydroxyethyl)piperidin-1-yl]-(4-hydroxy-3-methylphenyl)methanone
CID 103957620
(3-chloro-4-hydroxyphenyl)-[3-(2-hydroxyethyl)piperidin-1-yl]methanone
CID 62371633
4-[3-(2-hydroxyethyl)piperidine-1-carbonyl]benzenecarbothioamide
CID 107227391
2-[1-(2-amino-4-pyridinyl)piperidin-3-yl]ethanol
CID 107229186
(3,5-dibromophenyl)-[3-(2-hydroxyethyl)piperidin-1-yl]methanone
CID 103909359
[3-(2-hydroxyethyl)piperidin-1-yl]-pyrimidin-5-ylmethanone
CID 113434939
3-[1-[2-(aminomethyl)pyridine-4-carbonyl]piperidin-3-yl]propanoic acid
CID 114326388

Frequently Asked Questions

What is the IUPAC name of (2-amino-4-pyridinyl)-[3-(2-hydroxyethyl)piperidin-1-yl]methanone?
The IUPAC name of (2-amino-4-pyridinyl)-[3-(2-hydroxyethyl)piperidin-1-yl]methanone (CID 107228705) is (2-amino-4-pyridinyl)-[3-(2-hydroxyethyl)piperidin-1-yl]methanone.
What is the SMILES notation for (2-amino-4-pyridinyl)-[3-(2-hydroxyethyl)piperidin-1-yl]methanone?
The canonical SMILES for (2-amino-4-pyridinyl)-[3-(2-hydroxyethyl)piperidin-1-yl]methanone is Nc1cc(C(=O)N2CCCC(CCO)C2)ccn1.
What is the InChIKey of (2-amino-4-pyridinyl)-[3-(2-hydroxyethyl)piperidin-1-yl]methanone?
The InChIKey is HMBFCIGEGVSKQQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19N3O2/c14-12-8-11(3-5-15-12)13(18)16-6-1-2-10(9-16)4-7-17/h3,5,8,10,17H,1-2,4,6-7,9H2,(H2,14,15).
What are the key properties of (2-amino-4-pyridinyl)-[3-(2-hydroxyethyl)piperidin-1-yl]methanone?
(2-amino-4-pyridinyl)-[3-(2-hydroxyethyl)piperidin-1-yl]methanone has a molecular weight of 249.31 g/mol, XLogP of 0.90, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2-amino-4-pyridinyl)-[3-(2-hydroxyethyl)piperidin-1-yl]methanone is sourced from PubChem (CID 107228705), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).