ethane;1-methyl-4-(2-methyl-1H-imidazol-5-yl)piperidine

C12H23N3 — CID 144594096

IUPACethane;1-methyl-4-(2-methyl-1H-imidazol-5-yl)piperidine
SMILESCC.Cc1ncc(C2CCN(C)CC2)[nH]1
InChIInChI=1S/C10H17N3.C2H6/c1-8-11-7-10(12-8)9-3-5-13(2)6-4-9;1-2/h7,9H,3-6H2,1-2H3,(H,11,12);1-2H3
InChIKeyJNKBVKGHNMSEPC-UHFFFAOYSA-N
MW209.34 g/mol
LogP2.55
Rot. Bonds1

About ethane;1-methyl-4-(2-methyl-1H-imidazol-5-yl)piperidine

ethane;1-methyl-4-(2-methyl-1H-imidazol-5-yl)piperidine (PubChem CID 144594096) has the molecular formula C12H23N3 and a molecular weight of 209.34 g/mol. Its IUPAC name is ethane;1-methyl-4-(2-methyl-1H-imidazol-5-yl)piperidine.

Molecular Properties

Compound Nameethane;1-methyl-4-(2-methyl-1H-imidazol-5-yl)piperidine
PubChem CID144594096
Molecular FormulaC12H23N3
Molecular Weight209.34 g/mol
Exact Mass209.19
IUPAC Nameethane;1-methyl-4-(2-methyl-1H-imidazol-5-yl)piperidine
SMILESCC.Cc1ncc(C2CCN(C)CC2)[nH]1
InChIInChI=1S/C10H17N3.C2H6/c1-8-11-7-10(12-8)9-3-5-13(2)6-4-9;1-2/h7,9H,3-6H2,1-2H3,(H,11,12);1-2H3
InChIKeyJNKBVKGHNMSEPC-UHFFFAOYSA-N
XLogP2.55
TPSA31.92 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.34
LogP ≤ 52.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of ethane;1-methyl-4-(2-methyl-1H-imidazol-5-yl)piperidine?
The IUPAC name of ethane;1-methyl-4-(2-methyl-1H-imidazol-5-yl)piperidine (CID 144594096) is ethane;1-methyl-4-(2-methyl-1H-imidazol-5-yl)piperidine.
What is the SMILES notation for ethane;1-methyl-4-(2-methyl-1H-imidazol-5-yl)piperidine?
The canonical SMILES for ethane;1-methyl-4-(2-methyl-1H-imidazol-5-yl)piperidine is CC.Cc1ncc(C2CCN(C)CC2)[nH]1.
What is the InChIKey of ethane;1-methyl-4-(2-methyl-1H-imidazol-5-yl)piperidine?
The InChIKey is JNKBVKGHNMSEPC-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17N3.C2H6/c1-8-11-7-10(12-8)9-3-5-13(2)6-4-9;1-2/h7,9H,3-6H2,1-2H3,(H,11,12);1-2H3.
What are the key properties of ethane;1-methyl-4-(2-methyl-1H-imidazol-5-yl)piperidine?
ethane;1-methyl-4-(2-methyl-1H-imidazol-5-yl)piperidine has a molecular weight of 209.34 g/mol, XLogP of 2.55, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;1-methyl-4-(2-methyl-1H-imidazol-5-yl)piperidine is sourced from PubChem (CID 144594096), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).