1-(4,5-dihydro-1H-imidazol-2-yl)-4-propan-2-ylpiperidine

C11H21N3 — CID 59176514

IUPAC1-(4,5-dihydro-1H-imidazol-2-yl)-4-propan-2-ylpiperidine
SMILESCC(C)C1CCN(C2=NCCN2)CC1
InChIInChI=1S/C11H21N3/c1-9(2)10-3-7-14(8-4-10)11-12-5-6-13-11/h9-10H,3-8H2,1-2H3,(H,12,13)
InChIKeyXKQSKFZZOXUCRG-UHFFFAOYSA-N
MW195.31 g/mol
LogP1.31
Rot. Bonds1

About 1-(4,5-dihydro-1H-imidazol-2-yl)-4-propan-2-ylpiperidine

1-(4,5-dihydro-1H-imidazol-2-yl)-4-propan-2-ylpiperidine (PubChem CID 59176514) has the molecular formula C11H21N3 and a molecular weight of 195.31 g/mol. Its IUPAC name is 1-(4,5-dihydro-1H-imidazol-2-yl)-4-propan-2-ylpiperidine.

Molecular Properties

Compound Name1-(4,5-dihydro-1H-imidazol-2-yl)-4-propan-2-ylpiperidine
PubChem CID59176514
Molecular FormulaC11H21N3
Molecular Weight195.31 g/mol
Exact Mass195.17
IUPAC Name1-(4,5-dihydro-1H-imidazol-2-yl)-4-propan-2-ylpiperidine
SMILESCC(C)C1CCN(C2=NCCN2)CC1
InChIInChI=1S/C11H21N3/c1-9(2)10-3-7-14(8-4-10)11-12-5-6-13-11/h9-10H,3-8H2,1-2H3,(H,12,13)
InChIKeyXKQSKFZZOXUCRG-UHFFFAOYSA-N
XLogP1.31
TPSA27.63 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500195.31
LogP ≤ 51.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-(4,5-dihydro-1H-imidazol-2-yl)-4-propan-2-ylpiperidine?
The IUPAC name of 1-(4,5-dihydro-1H-imidazol-2-yl)-4-propan-2-ylpiperidine (CID 59176514) is 1-(4,5-dihydro-1H-imidazol-2-yl)-4-propan-2-ylpiperidine.
What is the SMILES notation for 1-(4,5-dihydro-1H-imidazol-2-yl)-4-propan-2-ylpiperidine?
The canonical SMILES for 1-(4,5-dihydro-1H-imidazol-2-yl)-4-propan-2-ylpiperidine is CC(C)C1CCN(C2=NCCN2)CC1.
What is the InChIKey of 1-(4,5-dihydro-1H-imidazol-2-yl)-4-propan-2-ylpiperidine?
The InChIKey is XKQSKFZZOXUCRG-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H21N3/c1-9(2)10-3-7-14(8-4-10)11-12-5-6-13-11/h9-10H,3-8H2,1-2H3,(H,12,13).
What are the key properties of 1-(4,5-dihydro-1H-imidazol-2-yl)-4-propan-2-ylpiperidine?
1-(4,5-dihydro-1H-imidazol-2-yl)-4-propan-2-ylpiperidine has a molecular weight of 195.31 g/mol, XLogP of 1.31, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4,5-dihydro-1H-imidazol-2-yl)-4-propan-2-ylpiperidine is sourced from PubChem (CID 59176514), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).