(2R)-2-(4,5-dihydro-1H-imidazol-2-yl)-1,4-di(propan-2-yl)piperazine

C13H26N4 — CID 10490142

IUPAC(2R)-2-(4,5-dihydro-1H-imidazol-2-yl)-1,4-di(propan-2-yl)piperazine
SMILESCC(C)N1CCN(C(C)C)[C@@H](C2=NCCN2)C1
InChIInChI=1S/C13H26N4/c1-10(2)16-7-8-17(11(3)4)12(9-16)13-14-5-6-15-13/h10-12H,5-9H2,1-4H3,(H,14,15)/t12-/m1/s1
InChIKeyUBLHYKNVKKEDSV-GFCCVEGCSA-N
MW238.38 g/mol
LogP0.79
Rot. Bonds3

About (2R)-2-(4,5-dihydro-1H-imidazol-2-yl)-1,4-di(propan-2-yl)piperazine

(2R)-2-(4,5-dihydro-1H-imidazol-2-yl)-1,4-di(propan-2-yl)piperazine (PubChem CID 10490142) has the molecular formula C13H26N4 and a molecular weight of 238.38 g/mol. Its IUPAC name is (2R)-2-(4,5-dihydro-1H-imidazol-2-yl)-1,4-di(propan-2-yl)piperazine.

Molecular Properties

Compound Name(2R)-2-(4,5-dihydro-1H-imidazol-2-yl)-1,4-di(propan-2-yl)piperazine
PubChem CID10490142
Molecular FormulaC13H26N4
Molecular Weight238.38 g/mol
Exact Mass238.22
IUPAC Name(2R)-2-(4,5-dihydro-1H-imidazol-2-yl)-1,4-di(propan-2-yl)piperazine
SMILESCC(C)N1CCN(C(C)C)[C@@H](C2=NCCN2)C1
InChIInChI=1S/C13H26N4/c1-10(2)16-7-8-17(11(3)4)12(9-16)13-14-5-6-15-13/h10-12H,5-9H2,1-4H3,(H,14,15)/t12-/m1/s1
InChIKeyUBLHYKNVKKEDSV-GFCCVEGCSA-N
XLogP0.79
TPSA30.87 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.38
LogP ≤ 50.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (2R)-2-(4,5-dihydro-1H-imidazol-2-yl)-1,4-di(propan-2-yl)piperazine?
The IUPAC name of (2R)-2-(4,5-dihydro-1H-imidazol-2-yl)-1,4-di(propan-2-yl)piperazine (CID 10490142) is (2R)-2-(4,5-dihydro-1H-imidazol-2-yl)-1,4-di(propan-2-yl)piperazine.
What is the SMILES notation for (2R)-2-(4,5-dihydro-1H-imidazol-2-yl)-1,4-di(propan-2-yl)piperazine?
The canonical SMILES for (2R)-2-(4,5-dihydro-1H-imidazol-2-yl)-1,4-di(propan-2-yl)piperazine is CC(C)N1CCN(C(C)C)[C@@H](C2=NCCN2)C1.
What is the InChIKey of (2R)-2-(4,5-dihydro-1H-imidazol-2-yl)-1,4-di(propan-2-yl)piperazine?
The InChIKey is UBLHYKNVKKEDSV-GFCCVEGCSA-N. The full InChI is InChI=1S/C13H26N4/c1-10(2)16-7-8-17(11(3)4)12(9-16)13-14-5-6-15-13/h10-12H,5-9H2,1-4H3,(H,14,15)/t12-/m1/s1.
What are the key properties of (2R)-2-(4,5-dihydro-1H-imidazol-2-yl)-1,4-di(propan-2-yl)piperazine?
(2R)-2-(4,5-dihydro-1H-imidazol-2-yl)-1,4-di(propan-2-yl)piperazine has a molecular weight of 238.38 g/mol, XLogP of 0.79, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-(4,5-dihydro-1H-imidazol-2-yl)-1,4-di(propan-2-yl)piperazine is sourced from PubChem (CID 10490142), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).