(4-amino-3-pyridinyl)-(4-hydroxy-4-methylpiperidin-1-yl)methanone

C12H17N3O2 — CID 81255698

IUPAC(4-amino-3-pyridinyl)-(4-hydroxy-4-methylpiperidin-1-yl)methanone
SMILESCC1(O)CCN(C(=O)c2cnccc2N)CC1
InChIInChI=1S/C12H17N3O2/c1-12(17)3-6-15(7-4-12)11(16)9-8-14-5-2-10(9)13/h2,5,8,17H,3-4,6-7H2,1H3,(H2,13,14)
InChIKeyOLROZMQZLZRQSX-UHFFFAOYSA-N
MW235.29 g/mol
LogP0.65
Rot. Bonds1

About (4-amino-3-pyridinyl)-(4-hydroxy-4-methylpiperidin-1-yl)methanone

(4-amino-3-pyridinyl)-(4-hydroxy-4-methylpiperidin-1-yl)methanone (PubChem CID 81255698) has the molecular formula C12H17N3O2 and a molecular weight of 235.29 g/mol. Its IUPAC name is (4-amino-3-pyridinyl)-(4-hydroxy-4-methylpiperidin-1-yl)methanone.

Molecular Properties

Compound Name(4-amino-3-pyridinyl)-(4-hydroxy-4-methylpiperidin-1-yl)methanone
PubChem CID81255698
Molecular FormulaC12H17N3O2
Molecular Weight235.29 g/mol
Exact Mass235.13
IUPAC Name(4-amino-3-pyridinyl)-(4-hydroxy-4-methylpiperidin-1-yl)methanone
SMILESCC1(O)CCN(C(=O)c2cnccc2N)CC1
InChIInChI=1S/C12H17N3O2/c1-12(17)3-6-15(7-4-12)11(16)9-8-14-5-2-10(9)13/h2,5,8,17H,3-4,6-7H2,1H3,(H2,13,14)
InChIKeyOLROZMQZLZRQSX-UHFFFAOYSA-N
XLogP0.65
TPSA79.45 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds1
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

(4-chloro-3-pyridinyl)-(4-hydroxy-4-methylpiperidin-1-yl)methanone
CID 81232947
(4-amino-3-pyridinyl)-(4-propylpiperazin-1-yl)methanone
CID 81236290
(4-amino-3-pyridinyl)-(3,3-difluoroazetidin-1-yl)methanone
CID 68771862
(4a-hydroxy-1,3,4,5,6,7,8,8a-octahydroisoquinolin-2-yl)-(4-amino-3-pyridinyl)methanone
CID 81256985
(4-amino-3-pyridinyl)-(3-methylpiperidin-1-yl)methanone
CID 81236621
(4-amino-3-pyridinyl)-[4-(cyclopropylmethyl)piperazin-1-yl]methanone
CID 81239759
(3-amino-2-chlorophenyl)-(4-hydroxy-4-methylpiperidin-1-yl)methanone
CID 112576079
(4-amino-3-pyridinyl)-(2,6-dimethylmorpholin-4-yl)methanone
CID 81236152
(5-amino-2-chlorophenyl)-(4-hydroxy-4-methylpiperidin-1-yl)methanone
CID 81096342
(4-amino-3-pyridinyl)-[6-(hydroxymethyl)-2,2-dimethylmorpholin-4-yl]methanone
CID 114780108
(5-amino-2-bromo-4-fluorophenyl)-(4-hydroxy-4-methylpiperidin-1-yl)methanone
CID 81096176
(2-amino-4-methoxyphenyl)-(4-hydroxy-4-methylpiperidin-1-yl)methanone
CID 115413606

Frequently Asked Questions

What is the IUPAC name of (4-amino-3-pyridinyl)-(4-hydroxy-4-methylpiperidin-1-yl)methanone?
The IUPAC name of (4-amino-3-pyridinyl)-(4-hydroxy-4-methylpiperidin-1-yl)methanone (CID 81255698) is (4-amino-3-pyridinyl)-(4-hydroxy-4-methylpiperidin-1-yl)methanone.
What is the SMILES notation for (4-amino-3-pyridinyl)-(4-hydroxy-4-methylpiperidin-1-yl)methanone?
The canonical SMILES for (4-amino-3-pyridinyl)-(4-hydroxy-4-methylpiperidin-1-yl)methanone is CC1(O)CCN(C(=O)c2cnccc2N)CC1.
What is the InChIKey of (4-amino-3-pyridinyl)-(4-hydroxy-4-methylpiperidin-1-yl)methanone?
The InChIKey is OLROZMQZLZRQSX-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17N3O2/c1-12(17)3-6-15(7-4-12)11(16)9-8-14-5-2-10(9)13/h2,5,8,17H,3-4,6-7H2,1H3,(H2,13,14).
What are the key properties of (4-amino-3-pyridinyl)-(4-hydroxy-4-methylpiperidin-1-yl)methanone?
(4-amino-3-pyridinyl)-(4-hydroxy-4-methylpiperidin-1-yl)methanone has a molecular weight of 235.29 g/mol, XLogP of 0.65, 1 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (4-amino-3-pyridinyl)-(4-hydroxy-4-methylpiperidin-1-yl)methanone is sourced from PubChem (CID 81255698), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).