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

C13H24N4 — CID 83089793

IUPAC[1-[(1,3-dimethylpyrazol-4-yl)methyl]-3-methylpiperidin-2-yl]methanamine
SMILESCc1nn(C)cc1CN1CCCC(C)C1CN
InChIInChI=1S/C13H24N4/c1-10-5-4-6-17(13(10)7-14)9-12-8-16(3)15-11(12)2/h8,10,13H,4-7,9,14H2,1-3H3
InChIKeyMIJAZVNPEOIOAO-UHFFFAOYSA-N
MW236.36 g/mol
LogP1.29
Rot. Bonds3

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

[1-[(1,3-dimethylpyrazol-4-yl)methyl]-3-methylpiperidin-2-yl]methanamine (PubChem CID 83089793) has the molecular formula C13H24N4 and a molecular weight of 236.36 g/mol. Its IUPAC name is [1-[(1,3-dimethylpyrazol-4-yl)methyl]-3-methylpiperidin-2-yl]methanamine.

Molecular Properties

Compound Name[1-[(1,3-dimethylpyrazol-4-yl)methyl]-3-methylpiperidin-2-yl]methanamine
PubChem CID83089793
Molecular FormulaC13H24N4
Molecular Weight236.36 g/mol
Exact Mass236.20
IUPAC Name[1-[(1,3-dimethylpyrazol-4-yl)methyl]-3-methylpiperidin-2-yl]methanamine
SMILESCc1nn(C)cc1CN1CCCC(C)C1CN
InChIInChI=1S/C13H24N4/c1-10-5-4-6-17(13(10)7-14)9-12-8-16(3)15-11(12)2/h8,10,13H,4-7,9,14H2,1-3H3
InChIKeyMIJAZVNPEOIOAO-UHFFFAOYSA-N
XLogP1.29
TPSA47.08 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.36
LogP ≤ 51.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of [1-[(1,3-dimethylpyrazol-4-yl)methyl]-3-methylpiperidin-2-yl]methanamine?
The IUPAC name of [1-[(1,3-dimethylpyrazol-4-yl)methyl]-3-methylpiperidin-2-yl]methanamine (CID 83089793) is [1-[(1,3-dimethylpyrazol-4-yl)methyl]-3-methylpiperidin-2-yl]methanamine.
What is the SMILES notation for [1-[(1,3-dimethylpyrazol-4-yl)methyl]-3-methylpiperidin-2-yl]methanamine?
The canonical SMILES for [1-[(1,3-dimethylpyrazol-4-yl)methyl]-3-methylpiperidin-2-yl]methanamine is Cc1nn(C)cc1CN1CCCC(C)C1CN.
What is the InChIKey of [1-[(1,3-dimethylpyrazol-4-yl)methyl]-3-methylpiperidin-2-yl]methanamine?
The InChIKey is MIJAZVNPEOIOAO-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H24N4/c1-10-5-4-6-17(13(10)7-14)9-12-8-16(3)15-11(12)2/h8,10,13H,4-7,9,14H2,1-3H3.
What are the key properties of [1-[(1,3-dimethylpyrazol-4-yl)methyl]-3-methylpiperidin-2-yl]methanamine?
[1-[(1,3-dimethylpyrazol-4-yl)methyl]-3-methylpiperidin-2-yl]methanamine has a molecular weight of 236.36 g/mol, XLogP of 1.29, 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]-3-methylpiperidin-2-yl]methanamine is sourced from PubChem (CID 83089793), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).