[1-[(1,3-dimethylpyrazol-4-yl)methyl]piperidin-2-yl]methanamine

C12H22N4 — CID 83089134

IUPAC[1-[(1,3-dimethylpyrazol-4-yl)methyl]piperidin-2-yl]methanamine
SMILESCc1nn(C)cc1CN1CCCCC1CN
InChIInChI=1S/C12H22N4/c1-10-11(8-15(2)14-10)9-16-6-4-3-5-12(16)7-13/h8,12H,3-7,9,13H2,1-2H3
InChIKeyVTHMXTZJROIUKY-UHFFFAOYSA-N
MW222.34 g/mol
LogP1.04
Rot. Bonds3

About [1-[(1,3-dimethylpyrazol-4-yl)methyl]piperidin-2-yl]methanamine

[1-[(1,3-dimethylpyrazol-4-yl)methyl]piperidin-2-yl]methanamine (PubChem CID 83089134) has the molecular formula C12H22N4 and a molecular weight of 222.34 g/mol. Its IUPAC name is [1-[(1,3-dimethylpyrazol-4-yl)methyl]piperidin-2-yl]methanamine.

Molecular Properties

Compound Name[1-[(1,3-dimethylpyrazol-4-yl)methyl]piperidin-2-yl]methanamine
PubChem CID83089134
Molecular FormulaC12H22N4
Molecular Weight222.34 g/mol
Exact Mass222.18
IUPAC Name[1-[(1,3-dimethylpyrazol-4-yl)methyl]piperidin-2-yl]methanamine
SMILESCc1nn(C)cc1CN1CCCCC1CN
InChIInChI=1S/C12H22N4/c1-10-11(8-15(2)14-10)9-16-6-4-3-5-12(16)7-13/h8,12H,3-7,9,13H2,1-2H3
InChIKeyVTHMXTZJROIUKY-UHFFFAOYSA-N
XLogP1.04
TPSA47.08 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.34
LogP ≤ 51.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

[1-[(1,3-dimethylpyrazol-4-yl)methyl]-3-methylpiperidin-2-yl]methanamine
CID 83089793
(2R)-1-[(1,3-dimethylpyrazol-4-yl)methyl]-2-(5-methylthiophen-2-yl)azepane
CID 92878035
(2S)-1-[(1,3-dimethylpyrazol-4-yl)methyl]-2-[2-(dimethylsulfamoylamino)ethyl]piperidine
CID 92634324
1-[(1,3-dimethylpyrazol-4-yl)methyl]-2-[2-(dimethylsulfamoylamino)ethyl]piperidine
CID 110247050
(2S)-2-(4-chlorophenyl)-1-[(1,3-dimethylpyrazol-4-yl)methyl]azepane
CID 92878029
[1-[(3-methyl-1-propan-2-ylpyrazol-4-yl)methyl]azepan-2-yl]methanol
CID 126834158
(2R)-1-[(1,3-dimethylpyrazol-4-yl)methyl]-2-(3-methylthiophen-2-yl)azepane
CID 92878033
1-[(1,3-dimethylpyrazol-4-yl)methyl]piperidine
CID 131703772
[1-[(3-methylimidazol-4-yl)methyl]piperidin-2-yl]methanamine
CID 66117539
[1-[(4-methyl-3-pyridinyl)methyl]piperidin-2-yl]methanamine;hydrochloride
CID 120836903
[1-[(2,5-dimethylphenyl)methyl]piperidin-2-yl]methanamine;hydrochloride
CID 119916076
4-(azetidin-1-ylmethyl)-1,3-dimethylpyrazole
CID 130652971

Frequently Asked Questions

What is the IUPAC name of [1-[(1,3-dimethylpyrazol-4-yl)methyl]piperidin-2-yl]methanamine?
The IUPAC name of [1-[(1,3-dimethylpyrazol-4-yl)methyl]piperidin-2-yl]methanamine (CID 83089134) is [1-[(1,3-dimethylpyrazol-4-yl)methyl]piperidin-2-yl]methanamine.
What is the SMILES notation for [1-[(1,3-dimethylpyrazol-4-yl)methyl]piperidin-2-yl]methanamine?
The canonical SMILES for [1-[(1,3-dimethylpyrazol-4-yl)methyl]piperidin-2-yl]methanamine is Cc1nn(C)cc1CN1CCCCC1CN.
What is the InChIKey of [1-[(1,3-dimethylpyrazol-4-yl)methyl]piperidin-2-yl]methanamine?
The InChIKey is VTHMXTZJROIUKY-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22N4/c1-10-11(8-15(2)14-10)9-16-6-4-3-5-12(16)7-13/h8,12H,3-7,9,13H2,1-2H3.
What are the key properties of [1-[(1,3-dimethylpyrazol-4-yl)methyl]piperidin-2-yl]methanamine?
[1-[(1,3-dimethylpyrazol-4-yl)methyl]piperidin-2-yl]methanamine has a molecular weight of 222.34 g/mol, XLogP of 1.04, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [1-[(1,3-dimethylpyrazol-4-yl)methyl]piperidin-2-yl]methanamine is sourced from PubChem (CID 83089134), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).