2,2-dimethylpropyl 4-(1H-imidazol-5-ylmethyl)piperazine-1-carboxylate

C14H24N4O2 — CID 159801714

IUPAC2,2-dimethylpropyl 4-(1H-imidazol-5-ylmethyl)piperazine-1-carboxylate
SMILESCC(C)(C)COC(=O)N1CCN(Cc2cnc[nH]2)CC1
InChIInChI=1S/C14H24N4O2/c1-14(2,3)10-20-13(19)18-6-4-17(5-7-18)9-12-8-15-11-16-12/h8,11H,4-7,9-10H2,1-3H3,(H,15,16)
InChIKeyNJWKJJHYHJLUAM-UHFFFAOYSA-N
MW280.37 g/mol
LogP1.71
Rot. Bonds3

About 2,2-dimethylpropyl 4-(1H-imidazol-5-ylmethyl)piperazine-1-carboxylate

2,2-dimethylpropyl 4-(1H-imidazol-5-ylmethyl)piperazine-1-carboxylate (PubChem CID 159801714) has the molecular formula C14H24N4O2 and a molecular weight of 280.37 g/mol. Its IUPAC name is 2,2-dimethylpropyl 4-(1H-imidazol-5-ylmethyl)piperazine-1-carboxylate.

Molecular Properties

Compound Name2,2-dimethylpropyl 4-(1H-imidazol-5-ylmethyl)piperazine-1-carboxylate
PubChem CID159801714
Molecular FormulaC14H24N4O2
Molecular Weight280.37 g/mol
Exact Mass280.19
IUPAC Name2,2-dimethylpropyl 4-(1H-imidazol-5-ylmethyl)piperazine-1-carboxylate
SMILESCC(C)(C)COC(=O)N1CCN(Cc2cnc[nH]2)CC1
InChIInChI=1S/C14H24N4O2/c1-14(2,3)10-20-13(19)18-6-4-17(5-7-18)9-12-8-15-11-16-12/h8,11H,4-7,9-10H2,1-3H3,(H,15,16)
InChIKeyNJWKJJHYHJLUAM-UHFFFAOYSA-N
XLogP1.71
TPSA61.46 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.37
LogP ≤ 51.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2,2-dimethylpropyl 4-(1H-imidazol-5-ylmethyl)piperazine-1-carboxylate?
The IUPAC name of 2,2-dimethylpropyl 4-(1H-imidazol-5-ylmethyl)piperazine-1-carboxylate (CID 159801714) is 2,2-dimethylpropyl 4-(1H-imidazol-5-ylmethyl)piperazine-1-carboxylate.
What is the SMILES notation for 2,2-dimethylpropyl 4-(1H-imidazol-5-ylmethyl)piperazine-1-carboxylate?
The canonical SMILES for 2,2-dimethylpropyl 4-(1H-imidazol-5-ylmethyl)piperazine-1-carboxylate is CC(C)(C)COC(=O)N1CCN(Cc2cnc[nH]2)CC1.
What is the InChIKey of 2,2-dimethylpropyl 4-(1H-imidazol-5-ylmethyl)piperazine-1-carboxylate?
The InChIKey is NJWKJJHYHJLUAM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24N4O2/c1-14(2,3)10-20-13(19)18-6-4-17(5-7-18)9-12-8-15-11-16-12/h8,11H,4-7,9-10H2,1-3H3,(H,15,16).
What are the key properties of 2,2-dimethylpropyl 4-(1H-imidazol-5-ylmethyl)piperazine-1-carboxylate?
2,2-dimethylpropyl 4-(1H-imidazol-5-ylmethyl)piperazine-1-carboxylate has a molecular weight of 280.37 g/mol, XLogP of 1.71, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-dimethylpropyl 4-(1H-imidazol-5-ylmethyl)piperazine-1-carboxylate is sourced from PubChem (CID 159801714), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).