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

C12H22N4 — CID 117191788

IUPAC4-(piperidin-1-ylmethyl)-1-propan-2-ylimidazol-2-amine
SMILESCC(C)n1cc(CN2CCCCC2)nc1N
InChIInChI=1S/C12H22N4/c1-10(2)16-9-11(14-12(16)13)8-15-6-4-3-5-7-15/h9-10H,3-8H2,1-2H3,(H2,13,14)
InChIKeyOLKGWCGMDBVGDP-UHFFFAOYSA-N
MW222.34 g/mol
LogP2.03
Rot. Bonds3

About 4-(piperidin-1-ylmethyl)-1-propan-2-ylimidazol-2-amine

4-(piperidin-1-ylmethyl)-1-propan-2-ylimidazol-2-amine (PubChem CID 117191788) has the molecular formula C12H22N4 and a molecular weight of 222.34 g/mol. Its IUPAC name is 4-(piperidin-1-ylmethyl)-1-propan-2-ylimidazol-2-amine.

Molecular Properties

Compound Name4-(piperidin-1-ylmethyl)-1-propan-2-ylimidazol-2-amine
PubChem CID117191788
Molecular FormulaC12H22N4
Molecular Weight222.34 g/mol
Exact Mass222.18
IUPAC Name4-(piperidin-1-ylmethyl)-1-propan-2-ylimidazol-2-amine
SMILESCC(C)n1cc(CN2CCCCC2)nc1N
InChIInChI=1S/C12H22N4/c1-10(2)16-9-11(14-12(16)13)8-15-6-4-3-5-7-15/h9-10H,3-8H2,1-2H3,(H2,13,14)
InChIKeyOLKGWCGMDBVGDP-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 4-(piperidin-1-ylmethyl)-1-propan-2-ylimidazol-2-amine?
The IUPAC name of 4-(piperidin-1-ylmethyl)-1-propan-2-ylimidazol-2-amine (CID 117191788) is 4-(piperidin-1-ylmethyl)-1-propan-2-ylimidazol-2-amine.
What is the SMILES notation for 4-(piperidin-1-ylmethyl)-1-propan-2-ylimidazol-2-amine?
The canonical SMILES for 4-(piperidin-1-ylmethyl)-1-propan-2-ylimidazol-2-amine is CC(C)n1cc(CN2CCCCC2)nc1N.
What is the InChIKey of 4-(piperidin-1-ylmethyl)-1-propan-2-ylimidazol-2-amine?
The InChIKey is OLKGWCGMDBVGDP-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22N4/c1-10(2)16-9-11(14-12(16)13)8-15-6-4-3-5-7-15/h9-10H,3-8H2,1-2H3,(H2,13,14).
What are the key properties of 4-(piperidin-1-ylmethyl)-1-propan-2-ylimidazol-2-amine?
4-(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 4-(piperidin-1-ylmethyl)-1-propan-2-ylimidazol-2-amine is sourced from PubChem (CID 117191788), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).