(4-aminopiperidin-1-yl)-(2,6-dimethyl-3-pyridinyl)methanone

C13H19N3O — CID 62829888

IUPAC(4-aminopiperidin-1-yl)-(2,6-dimethyl-3-pyridinyl)methanone
SMILESCc1ccc(C(=O)N2CCC(N)CC2)c(C)n1
InChIInChI=1S/C13H19N3O/c1-9-3-4-12(10(2)15-9)13(17)16-7-5-11(14)6-8-16/h3-4,11H,5-8,14H2,1-2H3
InChIKeyIWBSAWIAVYNKJM-UHFFFAOYSA-N
MW233.31 g/mol
LogP1.26
Rot. Bonds1

About (4-aminopiperidin-1-yl)-(2,6-dimethyl-3-pyridinyl)methanone

(4-aminopiperidin-1-yl)-(2,6-dimethyl-3-pyridinyl)methanone (PubChem CID 62829888) has the molecular formula C13H19N3O and a molecular weight of 233.31 g/mol. Its IUPAC name is (4-aminopiperidin-1-yl)-(2,6-dimethyl-3-pyridinyl)methanone.

Molecular Properties

Compound Name(4-aminopiperidin-1-yl)-(2,6-dimethyl-3-pyridinyl)methanone
PubChem CID62829888
Molecular FormulaC13H19N3O
Molecular Weight233.31 g/mol
Exact Mass233.15
IUPAC Name(4-aminopiperidin-1-yl)-(2,6-dimethyl-3-pyridinyl)methanone
SMILESCc1ccc(C(=O)N2CCC(N)CC2)c(C)n1
InChIInChI=1S/C13H19N3O/c1-9-3-4-12(10(2)15-9)13(17)16-7-5-11(14)6-8-16/h3-4,11H,5-8,14H2,1-2H3
InChIKeyIWBSAWIAVYNKJM-UHFFFAOYSA-N
XLogP1.26
TPSA59.22 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.31
LogP ≤ 51.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(4-bromopiperidin-1-yl)-(2,6-dimethyl-3-pyridinyl)methanone
CID 80661867
azepan-1-yl-(2,6-dimethyl-3-pyridinyl)methanone
CID 60924601
[4-(1-bromoethyl)piperidin-1-yl]-(2,6-dimethyl-3-pyridinyl)methanone
CID 106839172
(3-bromopyrrolidin-1-yl)-(2,6-dimethyl-3-pyridinyl)methanone
CID 80677896
[4-(cyclopropylmethylamino)piperidin-1-yl]-(2,6-dimethyl-3-pyridinyl)methanone;dihydrochloride
CID 119624589
(2,6-dimethyl-3-pyridinyl)-[3-(methylamino)pyrrolidin-1-yl]methanone
CID 81466183
(2,6-dimethyl-3-pyridinyl)-(1,1-dioxo-1,4-thiazinan-4-yl)methanone
CID 71933483
(4-chloro-3-methylpiperidin-1-yl)-(2,6-dimethyl-3-pyridinyl)methanone
CID 114683136
[3-(aminomethyl)piperidin-1-yl]-(2,6-dimethyl-3-pyridinyl)methanone;dihydrochloride
CID 119465061
(2,6-dimethyl-3-pyridinyl)-(3-hydroxypiperidin-1-yl)methanone
CID 61060522
(2,6-dimethyl-3-pyridinyl)-[3-(hydroxymethyl)piperidin-1-yl]methanone
CID 61060891
1-(2,6-dimethylpyridine-3-carbonyl)piperidine-3-sulfonamide
CID 62830617

Frequently Asked Questions

What is the IUPAC name of (4-aminopiperidin-1-yl)-(2,6-dimethyl-3-pyridinyl)methanone?
The IUPAC name of (4-aminopiperidin-1-yl)-(2,6-dimethyl-3-pyridinyl)methanone (CID 62829888) is (4-aminopiperidin-1-yl)-(2,6-dimethyl-3-pyridinyl)methanone.
What is the SMILES notation for (4-aminopiperidin-1-yl)-(2,6-dimethyl-3-pyridinyl)methanone?
The canonical SMILES for (4-aminopiperidin-1-yl)-(2,6-dimethyl-3-pyridinyl)methanone is Cc1ccc(C(=O)N2CCC(N)CC2)c(C)n1.
What is the InChIKey of (4-aminopiperidin-1-yl)-(2,6-dimethyl-3-pyridinyl)methanone?
The InChIKey is IWBSAWIAVYNKJM-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19N3O/c1-9-3-4-12(10(2)15-9)13(17)16-7-5-11(14)6-8-16/h3-4,11H,5-8,14H2,1-2H3.
What are the key properties of (4-aminopiperidin-1-yl)-(2,6-dimethyl-3-pyridinyl)methanone?
(4-aminopiperidin-1-yl)-(2,6-dimethyl-3-pyridinyl)methanone has a molecular weight of 233.31 g/mol, XLogP of 1.26, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (4-aminopiperidin-1-yl)-(2,6-dimethyl-3-pyridinyl)methanone is sourced from PubChem (CID 62829888), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).