N-(3-imidazol-1-ylpropyl)-1,3-dimethylpiperidin-4-amine

C13H24N4 — CID 115704910

IUPACN-(3-imidazol-1-ylpropyl)-1,3-dimethylpiperidin-4-amine
SMILESCC1CN(C)CCC1NCCCn1ccnc1
InChIInChI=1S/C13H24N4/c1-12-10-16(2)8-4-13(12)15-5-3-7-17-9-6-14-11-17/h6,9,11-13,15H,3-5,7-8,10H2,1-2H3
InChIKeyWPYFGEUTBKWEAK-UHFFFAOYSA-N
MW236.36 g/mol
LogP1.20
Rot. Bonds5

About N-(3-imidazol-1-ylpropyl)-1,3-dimethylpiperidin-4-amine

N-(3-imidazol-1-ylpropyl)-1,3-dimethylpiperidin-4-amine (PubChem CID 115704910) has the molecular formula C13H24N4 and a molecular weight of 236.36 g/mol. Its IUPAC name is N-(3-imidazol-1-ylpropyl)-1,3-dimethylpiperidin-4-amine.

Molecular Properties

Compound NameN-(3-imidazol-1-ylpropyl)-1,3-dimethylpiperidin-4-amine
PubChem CID115704910
Molecular FormulaC13H24N4
Molecular Weight236.36 g/mol
Exact Mass236.20
IUPAC NameN-(3-imidazol-1-ylpropyl)-1,3-dimethylpiperidin-4-amine
SMILESCC1CN(C)CCC1NCCCn1ccnc1
InChIInChI=1S/C13H24N4/c1-12-10-16(2)8-4-13(12)15-5-3-7-17-9-6-14-11-17/h6,9,11-13,15H,3-5,7-8,10H2,1-2H3
InChIKeyWPYFGEUTBKWEAK-UHFFFAOYSA-N
XLogP1.20
TPSA33.09 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.36
LogP ≤ 51.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-(3-imidazol-1-ylpropyl)-1,3-dimethylpiperidin-4-amine?
The IUPAC name of N-(3-imidazol-1-ylpropyl)-1,3-dimethylpiperidin-4-amine (CID 115704910) is N-(3-imidazol-1-ylpropyl)-1,3-dimethylpiperidin-4-amine.
What is the SMILES notation for N-(3-imidazol-1-ylpropyl)-1,3-dimethylpiperidin-4-amine?
The canonical SMILES for N-(3-imidazol-1-ylpropyl)-1,3-dimethylpiperidin-4-amine is CC1CN(C)CCC1NCCCn1ccnc1.
What is the InChIKey of N-(3-imidazol-1-ylpropyl)-1,3-dimethylpiperidin-4-amine?
The InChIKey is WPYFGEUTBKWEAK-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H24N4/c1-12-10-16(2)8-4-13(12)15-5-3-7-17-9-6-14-11-17/h6,9,11-13,15H,3-5,7-8,10H2,1-2H3.
What are the key properties of N-(3-imidazol-1-ylpropyl)-1,3-dimethylpiperidin-4-amine?
N-(3-imidazol-1-ylpropyl)-1,3-dimethylpiperidin-4-amine has a molecular weight of 236.36 g/mol, XLogP of 1.20, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-imidazol-1-ylpropyl)-1,3-dimethylpiperidin-4-amine is sourced from PubChem (CID 115704910), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).