N-(2-imidazol-1-ylethyl)-1,2-dimethylpiperidin-4-amine

C12H22N4 — CID 81300344

IUPACN-(2-imidazol-1-ylethyl)-1,2-dimethylpiperidin-4-amine
SMILESCC1CC(NCCn2ccnc2)CCN1C
InChIInChI=1S/C12H22N4/c1-11-9-12(3-6-15(11)2)14-5-8-16-7-4-13-10-16/h4,7,10-12,14H,3,5-6,8-9H2,1-2H3
InChIKeyOYTGZFIXSMDBGO-UHFFFAOYSA-N
MW222.34 g/mol
LogP0.96
Rot. Bonds4

About N-(2-imidazol-1-ylethyl)-1,2-dimethylpiperidin-4-amine

N-(2-imidazol-1-ylethyl)-1,2-dimethylpiperidin-4-amine (PubChem CID 81300344) has the molecular formula C12H22N4 and a molecular weight of 222.34 g/mol. Its IUPAC name is N-(2-imidazol-1-ylethyl)-1,2-dimethylpiperidin-4-amine.

Molecular Properties

Compound NameN-(2-imidazol-1-ylethyl)-1,2-dimethylpiperidin-4-amine
PubChem CID81300344
Molecular FormulaC12H22N4
Molecular Weight222.34 g/mol
Exact Mass222.18
IUPAC NameN-(2-imidazol-1-ylethyl)-1,2-dimethylpiperidin-4-amine
SMILESCC1CC(NCCn2ccnc2)CCN1C
InChIInChI=1S/C12H22N4/c1-11-9-12(3-6-15(11)2)14-5-8-16-7-4-13-10-16/h4,7,10-12,14H,3,5-6,8-9H2,1-2H3
InChIKeyOYTGZFIXSMDBGO-UHFFFAOYSA-N
XLogP0.96
TPSA33.09 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.34
LogP ≤ 50.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-ethyl-N-(2-imidazol-1-ylethyl)piperidin-4-amine
CID 60664484
N-(2-imidazol-1-ylethyl)oxetan-3-amine
CID 63623289
1,2-dimethyl-N-[2-(1-methylimidazol-2-yl)ethyl]piperidin-4-amine
CID 81344994
N-(3,3-dimethylbutyl)-1,2-dimethylpiperidin-4-amine
CID 81332844
N-(3-imidazol-1-ylpropyl)-1-[(1S,3R)-3-methylcyclohexyl]piperidin-4-amine
CID 97228938
N-(3-imidazol-1-ylpropyl)-1-[(1R,3R)-3-methylcyclohexyl]piperidin-4-amine
CID 97228940
4-(2-imidazol-1-ylethylamino)cyclohexane-1-carboxylic acid
CID 60810197
N-(3-imidazol-1-ylpropyl)-1-methylsulfonylpiperidin-4-amine
CID 61494543
4-tert-butyl-N-(2-imidazol-1-ylethyl)cycloheptan-1-amine
CID 65089447
tert-butyl N-[3-(2-imidazol-1-ylethylamino)cyclobutyl]carbamate
CID 80560625
N-(4-imidazol-1-ylbutyl)-1-propan-2-ylazepan-4-amine
CID 65073591
tert-butyl 6-(2-imidazol-1-ylethylamino)-3,4,4a,5,6,7,8,8a-octahydro-2H-quinoline-1-carboxylate
CID 154766307

Frequently Asked Questions

What is the IUPAC name of N-(2-imidazol-1-ylethyl)-1,2-dimethylpiperidin-4-amine?
The IUPAC name of N-(2-imidazol-1-ylethyl)-1,2-dimethylpiperidin-4-amine (CID 81300344) is N-(2-imidazol-1-ylethyl)-1,2-dimethylpiperidin-4-amine.
What is the SMILES notation for N-(2-imidazol-1-ylethyl)-1,2-dimethylpiperidin-4-amine?
The canonical SMILES for N-(2-imidazol-1-ylethyl)-1,2-dimethylpiperidin-4-amine is CC1CC(NCCn2ccnc2)CCN1C.
What is the InChIKey of N-(2-imidazol-1-ylethyl)-1,2-dimethylpiperidin-4-amine?
The InChIKey is OYTGZFIXSMDBGO-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22N4/c1-11-9-12(3-6-15(11)2)14-5-8-16-7-4-13-10-16/h4,7,10-12,14H,3,5-6,8-9H2,1-2H3.
What are the key properties of N-(2-imidazol-1-ylethyl)-1,2-dimethylpiperidin-4-amine?
N-(2-imidazol-1-ylethyl)-1,2-dimethylpiperidin-4-amine has a molecular weight of 222.34 g/mol, XLogP of 0.96, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-imidazol-1-ylethyl)-1,2-dimethylpiperidin-4-amine is sourced from PubChem (CID 81300344), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).