N-(1H-imidazol-2-ylmethyl)-1-(2-methylprop-2-enyl)piperidin-4-amine

C13H22N4 — CID 119126160

IUPACN-(1H-imidazol-2-ylmethyl)-1-(2-methylprop-2-enyl)piperidin-4-amine
SMILESC=C(C)CN1CCC(NCc2ncc[nH]2)CC1
InChIInChI=1S/C13H22N4/c1-11(2)10-17-7-3-12(4-8-17)16-9-13-14-5-6-15-13/h5-6,12,16H,1,3-4,7-10H2,2H3,(H,14,15)
InChIKeyIBQPNPYQNDGAOC-UHFFFAOYSA-N
MW234.35 g/mol
LogP1.54
Rot. Bonds5

About N-(1H-imidazol-2-ylmethyl)-1-(2-methylprop-2-enyl)piperidin-4-amine

N-(1H-imidazol-2-ylmethyl)-1-(2-methylprop-2-enyl)piperidin-4-amine (PubChem CID 119126160) has the molecular formula C13H22N4 and a molecular weight of 234.35 g/mol. Its IUPAC name is N-(1H-imidazol-2-ylmethyl)-1-(2-methylprop-2-enyl)piperidin-4-amine.

Molecular Properties

Compound NameN-(1H-imidazol-2-ylmethyl)-1-(2-methylprop-2-enyl)piperidin-4-amine
PubChem CID119126160
Molecular FormulaC13H22N4
Molecular Weight234.35 g/mol
Exact Mass234.18
IUPAC NameN-(1H-imidazol-2-ylmethyl)-1-(2-methylprop-2-enyl)piperidin-4-amine
SMILESC=C(C)CN1CCC(NCc2ncc[nH]2)CC1
InChIInChI=1S/C13H22N4/c1-11(2)10-17-7-3-12(4-8-17)16-9-13-14-5-6-15-13/h5-6,12,16H,1,3-4,7-10H2,2H3,(H,14,15)
InChIKeyIBQPNPYQNDGAOC-UHFFFAOYSA-N
XLogP1.54
TPSA43.95 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.35
LogP ≤ 51.54
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-(1H-imidazol-2-ylmethyl)-1-(2-methylprop-2-enyl)piperidin-4-amine?
The IUPAC name of N-(1H-imidazol-2-ylmethyl)-1-(2-methylprop-2-enyl)piperidin-4-amine (CID 119126160) is N-(1H-imidazol-2-ylmethyl)-1-(2-methylprop-2-enyl)piperidin-4-amine.
What is the SMILES notation for N-(1H-imidazol-2-ylmethyl)-1-(2-methylprop-2-enyl)piperidin-4-amine?
The canonical SMILES for N-(1H-imidazol-2-ylmethyl)-1-(2-methylprop-2-enyl)piperidin-4-amine is C=C(C)CN1CCC(NCc2ncc[nH]2)CC1.
What is the InChIKey of N-(1H-imidazol-2-ylmethyl)-1-(2-methylprop-2-enyl)piperidin-4-amine?
The InChIKey is IBQPNPYQNDGAOC-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22N4/c1-11(2)10-17-7-3-12(4-8-17)16-9-13-14-5-6-15-13/h5-6,12,16H,1,3-4,7-10H2,2H3,(H,14,15).
What are the key properties of N-(1H-imidazol-2-ylmethyl)-1-(2-methylprop-2-enyl)piperidin-4-amine?
N-(1H-imidazol-2-ylmethyl)-1-(2-methylprop-2-enyl)piperidin-4-amine has a molecular weight of 234.35 g/mol, XLogP of 1.54, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1H-imidazol-2-ylmethyl)-1-(2-methylprop-2-enyl)piperidin-4-amine is sourced from PubChem (CID 119126160), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).