(6-amino-3-chloro-2-pyridinyl)-(4-hydroxy-4-methylpiperidin-1-yl)methanone

C12H16ClN3O2 — CID 81109081

IUPAC(6-amino-3-chloro-2-pyridinyl)-(4-hydroxy-4-methylpiperidin-1-yl)methanone
SMILESCC1(O)CCN(C(=O)c2nc(N)ccc2Cl)CC1
InChIInChI=1S/C12H16ClN3O2/c1-12(18)4-6-16(7-5-12)11(17)10-8(13)2-3-9(14)15-10/h2-3,18H,4-7H2,1H3,(H2,14,15)
InChIKeyVVZZQXSAFCWQBR-UHFFFAOYSA-N
MW269.73 g/mol
LogP1.30
Rot. Bonds1

About (6-amino-3-chloro-2-pyridinyl)-(4-hydroxy-4-methylpiperidin-1-yl)methanone

(6-amino-3-chloro-2-pyridinyl)-(4-hydroxy-4-methylpiperidin-1-yl)methanone (PubChem CID 81109081) has the molecular formula C12H16ClN3O2 and a molecular weight of 269.73 g/mol. Its IUPAC name is (6-amino-3-chloro-2-pyridinyl)-(4-hydroxy-4-methylpiperidin-1-yl)methanone.

Molecular Properties

Compound Name(6-amino-3-chloro-2-pyridinyl)-(4-hydroxy-4-methylpiperidin-1-yl)methanone
PubChem CID81109081
Molecular FormulaC12H16ClN3O2
Molecular Weight269.73 g/mol
Exact Mass269.09
IUPAC Name(6-amino-3-chloro-2-pyridinyl)-(4-hydroxy-4-methylpiperidin-1-yl)methanone
SMILESCC1(O)CCN(C(=O)c2nc(N)ccc2Cl)CC1
InChIInChI=1S/C12H16ClN3O2/c1-12(18)4-6-16(7-5-12)11(17)10-8(13)2-3-9(14)15-10/h2-3,18H,4-7H2,1H3,(H2,14,15)
InChIKeyVVZZQXSAFCWQBR-UHFFFAOYSA-N
XLogP1.30
TPSA79.45 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.73
LogP ≤ 51.30
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

(6-amino-3-chloro-2-pyridinyl)-(3-hydroxy-3-methylpyrrolidin-1-yl)methanone
CID 103358190
(6-amino-3-chloro-2-pyridinyl)-(8-azaspiro[4.5]decan-8-yl)methanone
CID 63162057
(6-amino-3-chloro-2-pyridinyl)-(4-ethylpiperidin-1-yl)methanone
CID 55041866
(5-amino-2-chlorophenyl)-(4-hydroxy-4-methylpiperidin-1-yl)methanone
CID 81096342
(3-chloro-6-hydrazinyl-2-pyridinyl)-(3-hydroxy-3-methylpyrrolidin-1-yl)methanone
CID 103358349
(6-amino-3-chloro-2-pyridinyl)-(3,4-dihydroxypyrrolidin-1-yl)methanone
CID 106673826
(3,4-dichlorophenyl)-(4-hydroxy-4-methylpiperidin-1-yl)methanone
CID 80707064
(4-chloro-3-pyridinyl)-(4-hydroxy-4-methylpiperidin-1-yl)methanone
CID 81232947
(6-amino-3-chloro-2-pyridinyl)-(2-ethylmorpholin-4-yl)methanone
CID 62155508
(4-chloroquinolin-2-yl)-(4-hydroxy-4-methylpiperidin-1-yl)methanone
CID 81096876
(3-amino-2-chlorophenyl)-(4-hydroxy-4-methylpiperidin-1-yl)methanone
CID 112576079
8-azaspiro[4.5]decan-8-yl-(3-chloro-6-hydrazinyl-2-pyridinyl)methanone
CID 63162277

Frequently Asked Questions

What is the IUPAC name of (6-amino-3-chloro-2-pyridinyl)-(4-hydroxy-4-methylpiperidin-1-yl)methanone?
The IUPAC name of (6-amino-3-chloro-2-pyridinyl)-(4-hydroxy-4-methylpiperidin-1-yl)methanone (CID 81109081) is (6-amino-3-chloro-2-pyridinyl)-(4-hydroxy-4-methylpiperidin-1-yl)methanone.
What is the SMILES notation for (6-amino-3-chloro-2-pyridinyl)-(4-hydroxy-4-methylpiperidin-1-yl)methanone?
The canonical SMILES for (6-amino-3-chloro-2-pyridinyl)-(4-hydroxy-4-methylpiperidin-1-yl)methanone is CC1(O)CCN(C(=O)c2nc(N)ccc2Cl)CC1.
What is the InChIKey of (6-amino-3-chloro-2-pyridinyl)-(4-hydroxy-4-methylpiperidin-1-yl)methanone?
The InChIKey is VVZZQXSAFCWQBR-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16ClN3O2/c1-12(18)4-6-16(7-5-12)11(17)10-8(13)2-3-9(14)15-10/h2-3,18H,4-7H2,1H3,(H2,14,15).
What are the key properties of (6-amino-3-chloro-2-pyridinyl)-(4-hydroxy-4-methylpiperidin-1-yl)methanone?
(6-amino-3-chloro-2-pyridinyl)-(4-hydroxy-4-methylpiperidin-1-yl)methanone has a molecular weight of 269.73 g/mol, XLogP of 1.30, 1 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (6-amino-3-chloro-2-pyridinyl)-(4-hydroxy-4-methylpiperidin-1-yl)methanone is sourced from PubChem (CID 81109081), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).