[6-methyl-1-[(1-methylpyrazol-3-yl)methyl]piperidin-2-yl]methanamine

C12H22N4 — CID 82868582

IUPAC[6-methyl-1-[(1-methylpyrazol-3-yl)methyl]piperidin-2-yl]methanamine
SMILESCC1CCCC(CN)N1Cc1ccn(C)n1
InChIInChI=1S/C12H22N4/c1-10-4-3-5-12(8-13)16(10)9-11-6-7-15(2)14-11/h6-7,10,12H,3-5,8-9,13H2,1-2H3
InChIKeyJARNMVGBHMWZNP-UHFFFAOYSA-N
MW222.34 g/mol
LogP1.12
Rot. Bonds3

About [6-methyl-1-[(1-methylpyrazol-3-yl)methyl]piperidin-2-yl]methanamine

[6-methyl-1-[(1-methylpyrazol-3-yl)methyl]piperidin-2-yl]methanamine (PubChem CID 82868582) has the molecular formula C12H22N4 and a molecular weight of 222.34 g/mol. Its IUPAC name is [6-methyl-1-[(1-methylpyrazol-3-yl)methyl]piperidin-2-yl]methanamine.

Molecular Properties

Compound Name[6-methyl-1-[(1-methylpyrazol-3-yl)methyl]piperidin-2-yl]methanamine
PubChem CID82868582
Molecular FormulaC12H22N4
Molecular Weight222.34 g/mol
Exact Mass222.18
IUPAC Name[6-methyl-1-[(1-methylpyrazol-3-yl)methyl]piperidin-2-yl]methanamine
SMILESCC1CCCC(CN)N1Cc1ccn(C)n1
InChIInChI=1S/C12H22N4/c1-10-4-3-5-12(8-13)16(10)9-11-6-7-15(2)14-11/h6-7,10,12H,3-5,8-9,13H2,1-2H3
InChIKeyJARNMVGBHMWZNP-UHFFFAOYSA-N
XLogP1.12
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 ≤ 51.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of [6-methyl-1-[(1-methylpyrazol-3-yl)methyl]piperidin-2-yl]methanamine?
The IUPAC name of [6-methyl-1-[(1-methylpyrazol-3-yl)methyl]piperidin-2-yl]methanamine (CID 82868582) is [6-methyl-1-[(1-methylpyrazol-3-yl)methyl]piperidin-2-yl]methanamine.
What is the SMILES notation for [6-methyl-1-[(1-methylpyrazol-3-yl)methyl]piperidin-2-yl]methanamine?
The canonical SMILES for [6-methyl-1-[(1-methylpyrazol-3-yl)methyl]piperidin-2-yl]methanamine is CC1CCCC(CN)N1Cc1ccn(C)n1.
What is the InChIKey of [6-methyl-1-[(1-methylpyrazol-3-yl)methyl]piperidin-2-yl]methanamine?
The InChIKey is JARNMVGBHMWZNP-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22N4/c1-10-4-3-5-12(8-13)16(10)9-11-6-7-15(2)14-11/h6-7,10,12H,3-5,8-9,13H2,1-2H3.
What are the key properties of [6-methyl-1-[(1-methylpyrazol-3-yl)methyl]piperidin-2-yl]methanamine?
[6-methyl-1-[(1-methylpyrazol-3-yl)methyl]piperidin-2-yl]methanamine has a molecular weight of 222.34 g/mol, XLogP of 1.12, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [6-methyl-1-[(1-methylpyrazol-3-yl)methyl]piperidin-2-yl]methanamine is sourced from PubChem (CID 82868582), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).