3-[(4-ethyl-5-methyl-1H-imidazol-2-yl)methyl]piperidine

C12H21N3 — CID 105461179

IUPAC3-[(4-ethyl-5-methyl-1H-imidazol-2-yl)methyl]piperidine
SMILESCCc1nc(CC2CCCNC2)[nH]c1C
InChIInChI=1S/C12H21N3/c1-3-11-9(2)14-12(15-11)7-10-5-4-6-13-8-10/h10,13H,3-8H2,1-2H3,(H,14,15)
InChIKeyUGQYNOPXIQTAHR-UHFFFAOYSA-N
MW207.32 g/mol
LogP1.82
Rot. Bonds3

About 3-[(4-ethyl-5-methyl-1H-imidazol-2-yl)methyl]piperidine

3-[(4-ethyl-5-methyl-1H-imidazol-2-yl)methyl]piperidine (PubChem CID 105461179) has the molecular formula C12H21N3 and a molecular weight of 207.32 g/mol. Its IUPAC name is 3-[(4-ethyl-5-methyl-1H-imidazol-2-yl)methyl]piperidine.

Molecular Properties

Compound Name3-[(4-ethyl-5-methyl-1H-imidazol-2-yl)methyl]piperidine
PubChem CID105461179
Molecular FormulaC12H21N3
Molecular Weight207.32 g/mol
Exact Mass207.17
IUPAC Name3-[(4-ethyl-5-methyl-1H-imidazol-2-yl)methyl]piperidine
SMILESCCc1nc(CC2CCCNC2)[nH]c1C
InChIInChI=1S/C12H21N3/c1-3-11-9(2)14-12(15-11)7-10-5-4-6-13-8-10/h10,13H,3-8H2,1-2H3,(H,14,15)
InChIKeyUGQYNOPXIQTAHR-UHFFFAOYSA-N
XLogP1.82
TPSA40.71 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.32
LogP ≤ 51.82
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

2-ethyl-5-methyl-4-(pyrrolidin-3-ylmethyl)-1H-imidazole
CID 105447590
6-methyl-2-(piperidin-3-ylmethyl)-1H-imidazo[4,5-b]pyridine
CID 79796036
4,5,6-trimethyl-2-(piperidin-3-ylmethyl)pyrimidine
CID 105474903
4-ethyl-5-methyl-2-(piperidin-3-ylmethylamino)-1H-pyrimidin-6-one
CID 136740938
N-[(4-ethyl-5-methyl-1H-imidazol-2-yl)methyl]cyclopropanamine
CID 82237973
4-[(4-ethyl-5-propyl-1H-imidazol-2-yl)methyl]piperidine
CID 93461630
5-methyl-4-(pyrrolidin-3-ylmethyl)-2-(trifluoromethyl)-1H-imidazole
CID 105492306
2-cyclopropyl-5-(piperidin-3-ylmethyl)-4H-1,2,4-triazol-3-one
CID 136999580
2,3-dimethyl-6-(piperidin-3-ylmethyl)-1H-indole
CID 117358368
3-[(3-ethyl-4-methylphenyl)methyl]piperidine
CID 84785651
5-ethyl-2-(piperidin-3-ylmethyl)-1,3-oxazole
CID 84665659
5-(piperidin-3-ylmethyl)-3-propyl-1,2,4-oxadiazole
CID 62689973

Frequently Asked Questions

What is the IUPAC name of 3-[(4-ethyl-5-methyl-1H-imidazol-2-yl)methyl]piperidine?
The IUPAC name of 3-[(4-ethyl-5-methyl-1H-imidazol-2-yl)methyl]piperidine (CID 105461179) is 3-[(4-ethyl-5-methyl-1H-imidazol-2-yl)methyl]piperidine.
What is the SMILES notation for 3-[(4-ethyl-5-methyl-1H-imidazol-2-yl)methyl]piperidine?
The canonical SMILES for 3-[(4-ethyl-5-methyl-1H-imidazol-2-yl)methyl]piperidine is CCc1nc(CC2CCCNC2)[nH]c1C.
What is the InChIKey of 3-[(4-ethyl-5-methyl-1H-imidazol-2-yl)methyl]piperidine?
The InChIKey is UGQYNOPXIQTAHR-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21N3/c1-3-11-9(2)14-12(15-11)7-10-5-4-6-13-8-10/h10,13H,3-8H2,1-2H3,(H,14,15).
What are the key properties of 3-[(4-ethyl-5-methyl-1H-imidazol-2-yl)methyl]piperidine?
3-[(4-ethyl-5-methyl-1H-imidazol-2-yl)methyl]piperidine has a molecular weight of 207.32 g/mol, XLogP of 1.82, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(4-ethyl-5-methyl-1H-imidazol-2-yl)methyl]piperidine is sourced from PubChem (CID 105461179), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).