1-ethyl-N-(2-imidazol-1-ylethyl)piperidin-4-amine

C12H22N4 — CID 60664484

IUPAC1-ethyl-N-(2-imidazol-1-ylethyl)piperidin-4-amine
SMILESCCN1CCC(NCCn2ccnc2)CC1
InChIInChI=1S/C12H22N4/c1-2-15-7-3-12(4-8-15)14-6-10-16-9-5-13-11-16/h5,9,11-12,14H,2-4,6-8,10H2,1H3
InChIKeyUQJDPRRCMXERRK-UHFFFAOYSA-N
MW222.34 g/mol
LogP0.96
Rot. Bonds5

About 1-ethyl-N-(2-imidazol-1-ylethyl)piperidin-4-amine

1-ethyl-N-(2-imidazol-1-ylethyl)piperidin-4-amine (PubChem CID 60664484) has the molecular formula C12H22N4 and a molecular weight of 222.34 g/mol. Its IUPAC name is 1-ethyl-N-(2-imidazol-1-ylethyl)piperidin-4-amine.

Molecular Properties

Compound Name1-ethyl-N-(2-imidazol-1-ylethyl)piperidin-4-amine
PubChem CID60664484
Molecular FormulaC12H22N4
Molecular Weight222.34 g/mol
Exact Mass222.18
IUPAC Name1-ethyl-N-(2-imidazol-1-ylethyl)piperidin-4-amine
SMILESCCN1CCC(NCCn2ccnc2)CC1
InChIInChI=1S/C12H22N4/c1-2-15-7-3-12(4-8-15)14-6-10-16-9-5-13-11-16/h5,9,11-12,14H,2-4,6-8,10H2,1H3
InChIKeyUQJDPRRCMXERRK-UHFFFAOYSA-N
XLogP0.96
TPSA33.09 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
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

N-(2-imidazol-1-ylethyl)-1,2-dimethylpiperidin-4-amine
CID 81300344
N-(2-imidazol-1-ylethyl)oxetan-3-amine
CID 63623289
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
N-[2-(azepan-1-yl)ethyl]-1-ethylpiperidin-4-amine
CID 61240570
N-(4-imidazol-1-ylbutyl)-1-propan-2-ylazepan-4-amine
CID 65073591
N-(3-imidazol-1-ylpropyl)oxan-4-amine
CID 43608608
N-(2-imidazol-1-ylethyl)cyclohex-2-en-1-amine
CID 107906738
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
1-ethyl-N-(3-pyrazol-1-ylpropyl)azepan-4-amine
CID 113412467

Frequently Asked Questions

What is the IUPAC name of 1-ethyl-N-(2-imidazol-1-ylethyl)piperidin-4-amine?
The IUPAC name of 1-ethyl-N-(2-imidazol-1-ylethyl)piperidin-4-amine (CID 60664484) is 1-ethyl-N-(2-imidazol-1-ylethyl)piperidin-4-amine.
What is the SMILES notation for 1-ethyl-N-(2-imidazol-1-ylethyl)piperidin-4-amine?
The canonical SMILES for 1-ethyl-N-(2-imidazol-1-ylethyl)piperidin-4-amine is CCN1CCC(NCCn2ccnc2)CC1.
What is the InChIKey of 1-ethyl-N-(2-imidazol-1-ylethyl)piperidin-4-amine?
The InChIKey is UQJDPRRCMXERRK-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22N4/c1-2-15-7-3-12(4-8-15)14-6-10-16-9-5-13-11-16/h5,9,11-12,14H,2-4,6-8,10H2,1H3.
What are the key properties of 1-ethyl-N-(2-imidazol-1-ylethyl)piperidin-4-amine?
1-ethyl-N-(2-imidazol-1-ylethyl)piperidin-4-amine has a molecular weight of 222.34 g/mol, XLogP of 0.96, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethyl-N-(2-imidazol-1-ylethyl)piperidin-4-amine is sourced from PubChem (CID 60664484), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).