[(2R,3R)-2-(aminomethyl)-3-methylpiperidin-1-yl]-(1,5-dimethylpyrazol-4-yl)methanone

C13H22N4O — CID 95357635

IUPAC[(2R,3R)-2-(aminomethyl)-3-methylpiperidin-1-yl]-(1,5-dimethylpyrazol-4-yl)methanone
SMILESCc1c(C(=O)N2CCC[C@@H](C)[C@@H]2CN)cnn1C
InChIInChI=1S/C13H22N4O/c1-9-5-4-6-17(12(9)7-14)13(18)11-8-15-16(3)10(11)2/h8-9,12H,4-7,14H2,1-3H3/t9-,12+/m1/s1
InChIKeyHHZQUXRIWGLYHS-SKDRFNHKSA-N
MW250.35 g/mol
LogP0.93
Rot. Bonds2

About [(2R,3R)-2-(aminomethyl)-3-methylpiperidin-1-yl]-(1,5-dimethylpyrazol-4-yl)methanone

[(2R,3R)-2-(aminomethyl)-3-methylpiperidin-1-yl]-(1,5-dimethylpyrazol-4-yl)methanone (PubChem CID 95357635) has the molecular formula C13H22N4O and a molecular weight of 250.35 g/mol. Its IUPAC name is [(2R,3R)-2-(aminomethyl)-3-methylpiperidin-1-yl]-(1,5-dimethylpyrazol-4-yl)methanone.

Molecular Properties

Compound Name[(2R,3R)-2-(aminomethyl)-3-methylpiperidin-1-yl]-(1,5-dimethylpyrazol-4-yl)methanone
PubChem CID95357635
Molecular FormulaC13H22N4O
Molecular Weight250.35 g/mol
Exact Mass250.18
IUPAC Name[(2R,3R)-2-(aminomethyl)-3-methylpiperidin-1-yl]-(1,5-dimethylpyrazol-4-yl)methanone
SMILESCc1c(C(=O)N2CCC[C@@H](C)[C@@H]2CN)cnn1C
InChIInChI=1S/C13H22N4O/c1-9-5-4-6-17(12(9)7-14)13(18)11-8-15-16(3)10(11)2/h8-9,12H,4-7,14H2,1-3H3/t9-,12+/m1/s1
InChIKeyHHZQUXRIWGLYHS-SKDRFNHKSA-N
XLogP0.93
TPSA64.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.35
LogP ≤ 50.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

[2-(aminomethyl)-3-methylpiperidin-1-yl]-(3-hydroxy-4-pyridinyl)methanone
CID 81443535
[(2S,3R)-2-(aminomethyl)-3-methylpiperidin-1-yl]-(2-bromophenyl)methanone
CID 95357666
[2-(aminomethyl)-3-methylpiperidin-1-yl]-(3-fluoro-4-pyridinyl)methanone
CID 64950110
[2-(chloromethyl)piperidin-1-yl]-(1,5-dimethylpyrazol-4-yl)methanone
CID 55188355
(1,5-dimethylpyrazol-4-yl)-[2-(3-hydroxypropyl)pyrrolidin-1-yl]methanone
CID 55076306
[(2R,3R)-2-(aminomethyl)-3-methylpiperidin-1-yl]-(2,4-difluoro-5-methylphenyl)methanone
CID 124576164
(1,5-dimethylpyrazol-4-yl)-[2-(2-hydroxypropyl)pyrrolidin-1-yl]methanone
CID 79547117
[(2R,3R)-2-(aminomethyl)-3-methylpiperidin-1-yl]-(2-methylquinolin-8-yl)methanone
CID 124690231
[(2R,3R)-2-(aminomethyl)-3-methylpiperidin-1-yl]-(2,5-difluorophenyl)methanone
CID 95357640
[2-(aminomethyl)-3-methylpiperidin-1-yl]-(2-methyl-1,3-thiazol-4-yl)methanone
CID 65199129
[2-(aminomethyl)-3-methylpiperidin-1-yl]-naphthalen-1-ylmethanone;hydrochloride
CID 119597118
1-[1-(1,5-dimethylpyrazole-4-carbonyl)azepan-2-yl]propan-2-one
CID 79553133

Frequently Asked Questions

What is the IUPAC name of [(2R,3R)-2-(aminomethyl)-3-methylpiperidin-1-yl]-(1,5-dimethylpyrazol-4-yl)methanone?
The IUPAC name of [(2R,3R)-2-(aminomethyl)-3-methylpiperidin-1-yl]-(1,5-dimethylpyrazol-4-yl)methanone (CID 95357635) is [(2R,3R)-2-(aminomethyl)-3-methylpiperidin-1-yl]-(1,5-dimethylpyrazol-4-yl)methanone.
What is the SMILES notation for [(2R,3R)-2-(aminomethyl)-3-methylpiperidin-1-yl]-(1,5-dimethylpyrazol-4-yl)methanone?
The canonical SMILES for [(2R,3R)-2-(aminomethyl)-3-methylpiperidin-1-yl]-(1,5-dimethylpyrazol-4-yl)methanone is Cc1c(C(=O)N2CCC[C@@H](C)[C@@H]2CN)cnn1C.
What is the InChIKey of [(2R,3R)-2-(aminomethyl)-3-methylpiperidin-1-yl]-(1,5-dimethylpyrazol-4-yl)methanone?
The InChIKey is HHZQUXRIWGLYHS-SKDRFNHKSA-N. The full InChI is InChI=1S/C13H22N4O/c1-9-5-4-6-17(12(9)7-14)13(18)11-8-15-16(3)10(11)2/h8-9,12H,4-7,14H2,1-3H3/t9-,12+/m1/s1.
What are the key properties of [(2R,3R)-2-(aminomethyl)-3-methylpiperidin-1-yl]-(1,5-dimethylpyrazol-4-yl)methanone?
[(2R,3R)-2-(aminomethyl)-3-methylpiperidin-1-yl]-(1,5-dimethylpyrazol-4-yl)methanone has a molecular weight of 250.35 g/mol, XLogP of 0.93, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [(2R,3R)-2-(aminomethyl)-3-methylpiperidin-1-yl]-(1,5-dimethylpyrazol-4-yl)methanone is sourced from PubChem (CID 95357635), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).