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

C13H19N3O2 — CID 55042246

IUPAC[4-(hydroxymethyl)piperidin-1-yl]-[4-(methylamino)-2-pyridinyl]methanone
SMILESCNc1ccnc(C(=O)N2CCC(CO)CC2)c1
InChIInChI=1S/C13H19N3O2/c1-14-11-2-5-15-12(8-11)13(18)16-6-3-10(9-17)4-7-16/h2,5,8,10,17H,3-4,6-7,9H2,1H3,(H,14,15)
InChIKeyMUMQVCNYGRCRRB-UHFFFAOYSA-N
MW249.31 g/mol
LogP0.97
Rot. Bonds3

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

[4-(hydroxymethyl)piperidin-1-yl]-[4-(methylamino)-2-pyridinyl]methanone (PubChem CID 55042246) has the molecular formula C13H19N3O2 and a molecular weight of 249.31 g/mol. Its IUPAC name is [4-(hydroxymethyl)piperidin-1-yl]-[4-(methylamino)-2-pyridinyl]methanone.

Molecular Properties

Compound Name[4-(hydroxymethyl)piperidin-1-yl]-[4-(methylamino)-2-pyridinyl]methanone
PubChem CID55042246
Molecular FormulaC13H19N3O2
Molecular Weight249.31 g/mol
Exact Mass249.15
IUPAC Name[4-(hydroxymethyl)piperidin-1-yl]-[4-(methylamino)-2-pyridinyl]methanone
SMILESCNc1ccnc(C(=O)N2CCC(CO)CC2)c1
InChIInChI=1S/C13H19N3O2/c1-14-11-2-5-15-12(8-11)13(18)16-6-3-10(9-17)4-7-16/h2,5,8,10,17H,3-4,6-7,9H2,1H3,(H,14,15)
InChIKeyMUMQVCNYGRCRRB-UHFFFAOYSA-N
XLogP0.97
TPSA65.46 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 ≤ 50.97
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

(4-hydrazinyl-2-pyridinyl)-[4-(hydroxymethyl)piperidin-1-yl]methanone
CID 62234119
[4-(hydroxymethyl)piperidin-1-yl]-[4-(propylamino)-2-pyridinyl]methanone
CID 62185374
[4-(methylamino)-2-pyridinyl]-(4-methylpiperidin-1-yl)methanone
CID 62171607
[4-(1-hydroxyethyl)piperidin-1-yl]-[4-(methylamino)-2-pyridinyl]methanone
CID 106837578
(4,4-dimethylpiperidin-1-yl)-[4-(methylamino)-2-pyridinyl]methanone
CID 62930528
(4-hydroxy-3-methylpiperidin-1-yl)-[4-(methylamino)-2-pyridinyl]methanone
CID 114681646
(4-ethylpiperidin-1-yl)-(4-hydrazinyl-2-pyridinyl)methanone
CID 62242778
[3-(diethylamino)pyrrolidin-1-yl]-[4-(methylamino)-2-pyridinyl]methanone
CID 63175115
(4-tert-butylpiperidin-1-yl)-(4-hydrazinyl-2-pyridinyl)methanone
CID 62237509
1,3-dihydroisoindol-2-yl-[4-(methylamino)-2-pyridinyl]methanone
CID 55049769
[4-(dimethylamino)piperidin-1-yl]-[4-(ethylamino)-2-pyridinyl]methanone
CID 62169404
[4-(dimethylamino)piperidin-1-yl]-(4-hydrazinyl-2-pyridinyl)methanone
CID 62243583

Frequently Asked Questions

What is the IUPAC name of [4-(hydroxymethyl)piperidin-1-yl]-[4-(methylamino)-2-pyridinyl]methanone?
The IUPAC name of [4-(hydroxymethyl)piperidin-1-yl]-[4-(methylamino)-2-pyridinyl]methanone (CID 55042246) is [4-(hydroxymethyl)piperidin-1-yl]-[4-(methylamino)-2-pyridinyl]methanone.
What is the SMILES notation for [4-(hydroxymethyl)piperidin-1-yl]-[4-(methylamino)-2-pyridinyl]methanone?
The canonical SMILES for [4-(hydroxymethyl)piperidin-1-yl]-[4-(methylamino)-2-pyridinyl]methanone is CNc1ccnc(C(=O)N2CCC(CO)CC2)c1.
What is the InChIKey of [4-(hydroxymethyl)piperidin-1-yl]-[4-(methylamino)-2-pyridinyl]methanone?
The InChIKey is MUMQVCNYGRCRRB-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19N3O2/c1-14-11-2-5-15-12(8-11)13(18)16-6-3-10(9-17)4-7-16/h2,5,8,10,17H,3-4,6-7,9H2,1H3,(H,14,15).
What are the key properties of [4-(hydroxymethyl)piperidin-1-yl]-[4-(methylamino)-2-pyridinyl]methanone?
[4-(hydroxymethyl)piperidin-1-yl]-[4-(methylamino)-2-pyridinyl]methanone has a molecular weight of 249.31 g/mol, XLogP of 0.97, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(hydroxymethyl)piperidin-1-yl]-[4-(methylamino)-2-pyridinyl]methanone is sourced from PubChem (CID 55042246), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).