(4-amino-3,3-dimethylpiperidin-1-yl)-(5-bromo-2-pyridinyl)methanone

C13H18BrN3O — CID 120816364

IUPAC(4-amino-3,3-dimethylpiperidin-1-yl)-(5-bromo-2-pyridinyl)methanone
SMILESCC1(C)CN(C(=O)c2ccc(Br)cn2)CCC1N
InChIInChI=1S/C13H18BrN3O/c1-13(2)8-17(6-5-11(13)15)12(18)10-4-3-9(14)7-16-10/h3-4,7,11H,5-6,8,15H2,1-2H3
InChIKeyKACHXLQSOVDDKA-UHFFFAOYSA-N
MW312.21 g/mol
LogP2.04
Rot. Bonds1

About (4-amino-3,3-dimethylpiperidin-1-yl)-(5-bromo-2-pyridinyl)methanone

(4-amino-3,3-dimethylpiperidin-1-yl)-(5-bromo-2-pyridinyl)methanone (PubChem CID 120816364) has the molecular formula C13H18BrN3O and a molecular weight of 312.21 g/mol. Its IUPAC name is (4-amino-3,3-dimethylpiperidin-1-yl)-(5-bromo-2-pyridinyl)methanone.

Molecular Properties

Compound Name(4-amino-3,3-dimethylpiperidin-1-yl)-(5-bromo-2-pyridinyl)methanone
PubChem CID120816364
Molecular FormulaC13H18BrN3O
Molecular Weight312.21 g/mol
Exact Mass311.06
IUPAC Name(4-amino-3,3-dimethylpiperidin-1-yl)-(5-bromo-2-pyridinyl)methanone
SMILESCC1(C)CN(C(=O)c2ccc(Br)cn2)CCC1N
InChIInChI=1S/C13H18BrN3O/c1-13(2)8-17(6-5-11(13)15)12(18)10-4-3-9(14)7-16-10/h3-4,7,11H,5-6,8,15H2,1-2H3
InChIKeyKACHXLQSOVDDKA-UHFFFAOYSA-N
XLogP2.04
TPSA59.22 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.21
LogP ≤ 52.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(4-amino-3,3-dimethylpiperidin-1-yl)-(5-chloro-2-pyridinyl)methanone
CID 120818056
(5-bromo-2-pyridinyl)-(3-hydroxy-3-methylpyrrolidin-1-yl)methanone
CID 103727006
3-(4-amino-3,3-dimethylpiperidine-1-carbonyl)-1H-pyridazin-6-one
CID 114267658
(4-amino-3,3-dimethylpiperidin-1-yl)-[1-(4-bromophenyl)pyrazol-4-yl]methanone;hydrochloride
CID 120818431
(4-amino-3,3-dimethylpiperidin-1-yl)-[1-(4-bromophenyl)-5-methylpyrazol-4-yl]methanone
CID 120817759
(5-bromo-2-pyridinyl)-(4-ethoxypiperidin-1-yl)methanone
CID 62954265
(5-bromo-2-pyridinyl)-[3-(diethylamino)pyrrolidin-1-yl]methanone
CID 63525317
(5-bromo-2-pyridinyl)-[4-(ethylaminomethyl)piperidin-1-yl]methanone;dihydrochloride
CID 119646070
6-(4-amino-3,3-dimethylpiperidine-1-carbonyl)-2-phenylpyridazin-3-one
CID 120820095
(4-amino-3,3-dimethylpiperidin-1-yl)-phenylmethanone;hydrochloride
CID 120815405
1-[4-(4-amino-3,3-dimethylpiperidine-1-carbonyl)phenyl]ethanone
CID 120817657
4-(4-amino-3,3-dimethylpiperidine-1-carbonyl)benzamide
CID 120815235

Frequently Asked Questions

What is the IUPAC name of (4-amino-3,3-dimethylpiperidin-1-yl)-(5-bromo-2-pyridinyl)methanone?
The IUPAC name of (4-amino-3,3-dimethylpiperidin-1-yl)-(5-bromo-2-pyridinyl)methanone (CID 120816364) is (4-amino-3,3-dimethylpiperidin-1-yl)-(5-bromo-2-pyridinyl)methanone.
What is the SMILES notation for (4-amino-3,3-dimethylpiperidin-1-yl)-(5-bromo-2-pyridinyl)methanone?
The canonical SMILES for (4-amino-3,3-dimethylpiperidin-1-yl)-(5-bromo-2-pyridinyl)methanone is CC1(C)CN(C(=O)c2ccc(Br)cn2)CCC1N.
What is the InChIKey of (4-amino-3,3-dimethylpiperidin-1-yl)-(5-bromo-2-pyridinyl)methanone?
The InChIKey is KACHXLQSOVDDKA-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18BrN3O/c1-13(2)8-17(6-5-11(13)15)12(18)10-4-3-9(14)7-16-10/h3-4,7,11H,5-6,8,15H2,1-2H3.
What are the key properties of (4-amino-3,3-dimethylpiperidin-1-yl)-(5-bromo-2-pyridinyl)methanone?
(4-amino-3,3-dimethylpiperidin-1-yl)-(5-bromo-2-pyridinyl)methanone has a molecular weight of 312.21 g/mol, XLogP of 2.04, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (4-amino-3,3-dimethylpiperidin-1-yl)-(5-bromo-2-pyridinyl)methanone is sourced from PubChem (CID 120816364), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).