4-(2-cyclopropyl-5-methylimidazol-1-yl)piperidine

C12H19N3 — CID 90488052

IUPAC4-(2-cyclopropyl-5-methylimidazol-1-yl)piperidine
SMILESCc1cnc(C2CC2)n1C1CCNCC1
InChIInChI=1S/C12H19N3/c1-9-8-14-12(10-2-3-10)15(9)11-4-6-13-7-5-11/h8,10-11,13H,2-7H2,1H3
InChIKeyQTBLICCYEZMWJP-UHFFFAOYSA-N
MW205.30 g/mol
LogP1.99
Rot. Bonds2

About 4-(2-cyclopropyl-5-methylimidazol-1-yl)piperidine

4-(2-cyclopropyl-5-methylimidazol-1-yl)piperidine (PubChem CID 90488052) has the molecular formula C12H19N3 and a molecular weight of 205.30 g/mol. Its IUPAC name is 4-(2-cyclopropyl-5-methylimidazol-1-yl)piperidine.

Molecular Properties

Compound Name4-(2-cyclopropyl-5-methylimidazol-1-yl)piperidine
PubChem CID90488052
Molecular FormulaC12H19N3
Molecular Weight205.30 g/mol
Exact Mass205.16
IUPAC Name4-(2-cyclopropyl-5-methylimidazol-1-yl)piperidine
SMILESCc1cnc(C2CC2)n1C1CCNCC1
InChIInChI=1S/C12H19N3/c1-9-8-14-12(10-2-3-10)15(9)11-4-6-13-7-5-11/h8,10-11,13H,2-7H2,1H3
InChIKeyQTBLICCYEZMWJP-UHFFFAOYSA-N
XLogP1.99
TPSA29.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500205.30
LogP ≤ 51.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-(2-cyclopropyl-5-methylimidazol-1-yl)piperidine?
The IUPAC name of 4-(2-cyclopropyl-5-methylimidazol-1-yl)piperidine (CID 90488052) is 4-(2-cyclopropyl-5-methylimidazol-1-yl)piperidine.
What is the SMILES notation for 4-(2-cyclopropyl-5-methylimidazol-1-yl)piperidine?
The canonical SMILES for 4-(2-cyclopropyl-5-methylimidazol-1-yl)piperidine is Cc1cnc(C2CC2)n1C1CCNCC1.
What is the InChIKey of 4-(2-cyclopropyl-5-methylimidazol-1-yl)piperidine?
The InChIKey is QTBLICCYEZMWJP-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19N3/c1-9-8-14-12(10-2-3-10)15(9)11-4-6-13-7-5-11/h8,10-11,13H,2-7H2,1H3.
What are the key properties of 4-(2-cyclopropyl-5-methylimidazol-1-yl)piperidine?
4-(2-cyclopropyl-5-methylimidazol-1-yl)piperidine has a molecular weight of 205.30 g/mol, XLogP of 1.99, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-cyclopropyl-5-methylimidazol-1-yl)piperidine is sourced from PubChem (CID 90488052), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).