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

C13H24N4 — CID 106758670

IUPAC[6-methyl-1-[1-(2-methylpyrazol-3-yl)ethyl]piperidin-3-yl]methanamine
SMILESCC1CCC(CN)CN1C(C)c1ccnn1C
InChIInChI=1S/C13H24N4/c1-10-4-5-12(8-14)9-17(10)11(2)13-6-7-15-16(13)3/h6-7,10-12H,4-5,8-9,14H2,1-3H3
InChIKeyMTFHTRZPBGADPW-UHFFFAOYSA-N
MW236.36 g/mol
LogP1.54
Rot. Bonds3

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

[6-methyl-1-[1-(2-methylpyrazol-3-yl)ethyl]piperidin-3-yl]methanamine (PubChem CID 106758670) has the molecular formula C13H24N4 and a molecular weight of 236.36 g/mol. Its IUPAC name is [6-methyl-1-[1-(2-methylpyrazol-3-yl)ethyl]piperidin-3-yl]methanamine.

Molecular Properties

Compound Name[6-methyl-1-[1-(2-methylpyrazol-3-yl)ethyl]piperidin-3-yl]methanamine
PubChem CID106758670
Molecular FormulaC13H24N4
Molecular Weight236.36 g/mol
Exact Mass236.20
IUPAC Name[6-methyl-1-[1-(2-methylpyrazol-3-yl)ethyl]piperidin-3-yl]methanamine
SMILESCC1CCC(CN)CN1C(C)c1ccnn1C
InChIInChI=1S/C13H24N4/c1-10-4-5-12(8-14)9-17(10)11(2)13-6-7-15-16(13)3/h6-7,10-12H,4-5,8-9,14H2,1-3H3
InChIKeyMTFHTRZPBGADPW-UHFFFAOYSA-N
XLogP1.54
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 ≤ 51.54
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-(2-methylpyrazol-3-yl)ethyl]piperidin-3-yl]methanamine?
The IUPAC name of [6-methyl-1-[1-(2-methylpyrazol-3-yl)ethyl]piperidin-3-yl]methanamine (CID 106758670) is [6-methyl-1-[1-(2-methylpyrazol-3-yl)ethyl]piperidin-3-yl]methanamine.
What is the SMILES notation for [6-methyl-1-[1-(2-methylpyrazol-3-yl)ethyl]piperidin-3-yl]methanamine?
The canonical SMILES for [6-methyl-1-[1-(2-methylpyrazol-3-yl)ethyl]piperidin-3-yl]methanamine is CC1CCC(CN)CN1C(C)c1ccnn1C.
What is the InChIKey of [6-methyl-1-[1-(2-methylpyrazol-3-yl)ethyl]piperidin-3-yl]methanamine?
The InChIKey is MTFHTRZPBGADPW-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H24N4/c1-10-4-5-12(8-14)9-17(10)11(2)13-6-7-15-16(13)3/h6-7,10-12H,4-5,8-9,14H2,1-3H3.
What are the key properties of [6-methyl-1-[1-(2-methylpyrazol-3-yl)ethyl]piperidin-3-yl]methanamine?
[6-methyl-1-[1-(2-methylpyrazol-3-yl)ethyl]piperidin-3-yl]methanamine has a molecular weight of 236.36 g/mol, XLogP of 1.54, 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-(2-methylpyrazol-3-yl)ethyl]piperidin-3-yl]methanamine is sourced from PubChem (CID 106758670), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).