5-(piperidin-1-ylmethyl)-1-propan-2-ylimidazol-2-amine

C12H22N4 — CID 117192935

IUPAC5-(piperidin-1-ylmethyl)-1-propan-2-ylimidazol-2-amine
SMILESCC(C)n1c(CN2CCCCC2)cnc1N
InChIInChI=1S/C12H22N4/c1-10(2)16-11(8-14-12(16)13)9-15-6-4-3-5-7-15/h8,10H,3-7,9H2,1-2H3,(H2,13,14)
InChIKeyOWIQFPZDYHTETM-UHFFFAOYSA-N
MW222.34 g/mol
LogP2.03
Rot. Bonds3

About 5-(piperidin-1-ylmethyl)-1-propan-2-ylimidazol-2-amine

5-(piperidin-1-ylmethyl)-1-propan-2-ylimidazol-2-amine (PubChem CID 117192935) has the molecular formula C12H22N4 and a molecular weight of 222.34 g/mol. Its IUPAC name is 5-(piperidin-1-ylmethyl)-1-propan-2-ylimidazol-2-amine.

Molecular Properties

Compound Name5-(piperidin-1-ylmethyl)-1-propan-2-ylimidazol-2-amine
PubChem CID117192935
Molecular FormulaC12H22N4
Molecular Weight222.34 g/mol
Exact Mass222.18
IUPAC Name5-(piperidin-1-ylmethyl)-1-propan-2-ylimidazol-2-amine
SMILESCC(C)n1c(CN2CCCCC2)cnc1N
InChIInChI=1S/C12H22N4/c1-10(2)16-11(8-14-12(16)13)9-15-6-4-3-5-7-15/h8,10H,3-7,9H2,1-2H3,(H2,13,14)
InChIKeyOWIQFPZDYHTETM-UHFFFAOYSA-N
XLogP2.03
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 ≤ 52.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-(piperidin-1-ylmethyl)-1-propan-2-ylimidazol-2-amine?
The IUPAC name of 5-(piperidin-1-ylmethyl)-1-propan-2-ylimidazol-2-amine (CID 117192935) is 5-(piperidin-1-ylmethyl)-1-propan-2-ylimidazol-2-amine.
What is the SMILES notation for 5-(piperidin-1-ylmethyl)-1-propan-2-ylimidazol-2-amine?
The canonical SMILES for 5-(piperidin-1-ylmethyl)-1-propan-2-ylimidazol-2-amine is CC(C)n1c(CN2CCCCC2)cnc1N.
What is the InChIKey of 5-(piperidin-1-ylmethyl)-1-propan-2-ylimidazol-2-amine?
The InChIKey is OWIQFPZDYHTETM-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22N4/c1-10(2)16-11(8-14-12(16)13)9-15-6-4-3-5-7-15/h8,10H,3-7,9H2,1-2H3,(H2,13,14).
What are the key properties of 5-(piperidin-1-ylmethyl)-1-propan-2-ylimidazol-2-amine?
5-(piperidin-1-ylmethyl)-1-propan-2-ylimidazol-2-amine has a molecular weight of 222.34 g/mol, XLogP of 2.03, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(piperidin-1-ylmethyl)-1-propan-2-ylimidazol-2-amine is sourced from PubChem (CID 117192935), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).