2-methyl-N-[[1-[2-(2-methylpyrazol-3-yl)ethyl]piperidin-3-yl]methyl]propan-2-amine

C16H30N4 — CID 103003270

IUPAC2-methyl-N-[[1-[2-(2-methylpyrazol-3-yl)ethyl]piperidin-3-yl]methyl]propan-2-amine
SMILESCn1nccc1CCN1CCCC(CNC(C)(C)C)C1
InChIInChI=1S/C16H30N4/c1-16(2,3)17-12-14-6-5-10-20(13-14)11-8-15-7-9-18-19(15)4/h7,9,14,17H,5-6,8,10-13H2,1-4H3
InChIKeyHFIZRNGKFZAUAJ-UHFFFAOYSA-N
MW278.44 g/mol
LogP2.06
Rot. Bonds5

About 2-methyl-N-[[1-[2-(2-methylpyrazol-3-yl)ethyl]piperidin-3-yl]methyl]propan-2-amine

2-methyl-N-[[1-[2-(2-methylpyrazol-3-yl)ethyl]piperidin-3-yl]methyl]propan-2-amine (PubChem CID 103003270) has the molecular formula C16H30N4 and a molecular weight of 278.44 g/mol. Its IUPAC name is 2-methyl-N-[[1-[2-(2-methylpyrazol-3-yl)ethyl]piperidin-3-yl]methyl]propan-2-amine.

Molecular Properties

Compound Name2-methyl-N-[[1-[2-(2-methylpyrazol-3-yl)ethyl]piperidin-3-yl]methyl]propan-2-amine
PubChem CID103003270
Molecular FormulaC16H30N4
Molecular Weight278.44 g/mol
Exact Mass278.25
IUPAC Name2-methyl-N-[[1-[2-(2-methylpyrazol-3-yl)ethyl]piperidin-3-yl]methyl]propan-2-amine
SMILESCn1nccc1CCN1CCCC(CNC(C)(C)C)C1
InChIInChI=1S/C16H30N4/c1-16(2,3)17-12-14-6-5-10-20(13-14)11-8-15-7-9-18-19(15)4/h7,9,14,17H,5-6,8,10-13H2,1-4H3
InChIKeyHFIZRNGKFZAUAJ-UHFFFAOYSA-N
XLogP2.06
TPSA33.09 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.44
LogP ≤ 52.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-methyl-N-[[1-[2-(2-methylpyrazol-3-yl)ethyl]piperidin-3-yl]methyl]propan-2-amine?
The IUPAC name of 2-methyl-N-[[1-[2-(2-methylpyrazol-3-yl)ethyl]piperidin-3-yl]methyl]propan-2-amine (CID 103003270) is 2-methyl-N-[[1-[2-(2-methylpyrazol-3-yl)ethyl]piperidin-3-yl]methyl]propan-2-amine.
What is the SMILES notation for 2-methyl-N-[[1-[2-(2-methylpyrazol-3-yl)ethyl]piperidin-3-yl]methyl]propan-2-amine?
The canonical SMILES for 2-methyl-N-[[1-[2-(2-methylpyrazol-3-yl)ethyl]piperidin-3-yl]methyl]propan-2-amine is Cn1nccc1CCN1CCCC(CNC(C)(C)C)C1.
What is the InChIKey of 2-methyl-N-[[1-[2-(2-methylpyrazol-3-yl)ethyl]piperidin-3-yl]methyl]propan-2-amine?
The InChIKey is HFIZRNGKFZAUAJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H30N4/c1-16(2,3)17-12-14-6-5-10-20(13-14)11-8-15-7-9-18-19(15)4/h7,9,14,17H,5-6,8,10-13H2,1-4H3.
What are the key properties of 2-methyl-N-[[1-[2-(2-methylpyrazol-3-yl)ethyl]piperidin-3-yl]methyl]propan-2-amine?
2-methyl-N-[[1-[2-(2-methylpyrazol-3-yl)ethyl]piperidin-3-yl]methyl]propan-2-amine has a molecular weight of 278.44 g/mol, XLogP of 2.06, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-N-[[1-[2-(2-methylpyrazol-3-yl)ethyl]piperidin-3-yl]methyl]propan-2-amine is sourced from PubChem (CID 103003270), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).