1-(1H-imidazol-5-ylmethyl)-N-methylpiperidin-4-amine

C10H18N4 — CID 69118261

IUPAC1-(1H-imidazol-5-ylmethyl)-N-methylpiperidin-4-amine
SMILESCNC1CCN(Cc2cnc[nH]2)CC1
InChIInChI=1S/C10H18N4/c1-11-9-2-4-14(5-3-9)7-10-6-12-8-13-10/h6,8-9,11H,2-5,7H2,1H3,(H,12,13)
InChIKeyTVURSIISUKTZTO-UHFFFAOYSA-N
MW194.28 g/mol
LogP0.59
Rot. Bonds3

About 1-(1H-imidazol-5-ylmethyl)-N-methylpiperidin-4-amine

1-(1H-imidazol-5-ylmethyl)-N-methylpiperidin-4-amine (PubChem CID 69118261) has the molecular formula C10H18N4 and a molecular weight of 194.28 g/mol. Its IUPAC name is 1-(1H-imidazol-5-ylmethyl)-N-methylpiperidin-4-amine.

Molecular Properties

Compound Name1-(1H-imidazol-5-ylmethyl)-N-methylpiperidin-4-amine
PubChem CID69118261
Molecular FormulaC10H18N4
Molecular Weight194.28 g/mol
Exact Mass194.15
IUPAC Name1-(1H-imidazol-5-ylmethyl)-N-methylpiperidin-4-amine
SMILESCNC1CCN(Cc2cnc[nH]2)CC1
InChIInChI=1S/C10H18N4/c1-11-9-2-4-14(5-3-9)7-10-6-12-8-13-10/h6,8-9,11H,2-5,7H2,1H3,(H,12,13)
InChIKeyTVURSIISUKTZTO-UHFFFAOYSA-N
XLogP0.59
TPSA43.95 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500194.28
LogP ≤ 50.59
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-(1H-imidazol-5-ylmethyl)-N-methylpiperidin-4-amine?
The IUPAC name of 1-(1H-imidazol-5-ylmethyl)-N-methylpiperidin-4-amine (CID 69118261) is 1-(1H-imidazol-5-ylmethyl)-N-methylpiperidin-4-amine.
What is the SMILES notation for 1-(1H-imidazol-5-ylmethyl)-N-methylpiperidin-4-amine?
The canonical SMILES for 1-(1H-imidazol-5-ylmethyl)-N-methylpiperidin-4-amine is CNC1CCN(Cc2cnc[nH]2)CC1.
What is the InChIKey of 1-(1H-imidazol-5-ylmethyl)-N-methylpiperidin-4-amine?
The InChIKey is TVURSIISUKTZTO-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18N4/c1-11-9-2-4-14(5-3-9)7-10-6-12-8-13-10/h6,8-9,11H,2-5,7H2,1H3,(H,12,13).
What are the key properties of 1-(1H-imidazol-5-ylmethyl)-N-methylpiperidin-4-amine?
1-(1H-imidazol-5-ylmethyl)-N-methylpiperidin-4-amine has a molecular weight of 194.28 g/mol, XLogP of 0.59, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1H-imidazol-5-ylmethyl)-N-methylpiperidin-4-amine is sourced from PubChem (CID 69118261), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).