tert-butyl (3R)-3-(imidazol-1-ylmethyl)piperidine-1-carboxylate

C14H23N3O2 — CID 12063849

IUPACtert-butyl (3R)-3-(imidazol-1-ylmethyl)piperidine-1-carboxylate
SMILESCC(C)(C)OC(=O)N1CCC[C@H](Cn2ccnc2)C1
InChIInChI=1S/C14H23N3O2/c1-14(2,3)19-13(18)17-7-4-5-12(10-17)9-16-8-6-15-11-16/h6,8,11-12H,4-5,7,9-10H2,1-3H3/t12-/m1/s1
InChIKeyZHMHJCUTSNXGFX-GFCCVEGCSA-N
MW265.36 g/mol
LogP2.53
Rot. Bonds2

About tert-butyl (3R)-3-(imidazol-1-ylmethyl)piperidine-1-carboxylate

tert-butyl (3R)-3-(imidazol-1-ylmethyl)piperidine-1-carboxylate (PubChem CID 12063849) has the molecular formula C14H23N3O2 and a molecular weight of 265.36 g/mol. Its IUPAC name is tert-butyl (3R)-3-(imidazol-1-ylmethyl)piperidine-1-carboxylate.

Molecular Properties

Compound Nametert-butyl (3R)-3-(imidazol-1-ylmethyl)piperidine-1-carboxylate
PubChem CID12063849
Molecular FormulaC14H23N3O2
Molecular Weight265.36 g/mol
Exact Mass265.18
IUPAC Nametert-butyl (3R)-3-(imidazol-1-ylmethyl)piperidine-1-carboxylate
SMILESCC(C)(C)OC(=O)N1CCC[C@H](Cn2ccnc2)C1
InChIInChI=1S/C14H23N3O2/c1-14(2,3)19-13(18)17-7-4-5-12(10-17)9-16-8-6-15-11-16/h6,8,11-12H,4-5,7,9-10H2,1-3H3/t12-/m1/s1
InChIKeyZHMHJCUTSNXGFX-GFCCVEGCSA-N
XLogP2.53
TPSA47.36 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.36
LogP ≤ 52.53
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of tert-butyl (3R)-3-(imidazol-1-ylmethyl)piperidine-1-carboxylate?
The IUPAC name of tert-butyl (3R)-3-(imidazol-1-ylmethyl)piperidine-1-carboxylate (CID 12063849) is tert-butyl (3R)-3-(imidazol-1-ylmethyl)piperidine-1-carboxylate.
What is the SMILES notation for tert-butyl (3R)-3-(imidazol-1-ylmethyl)piperidine-1-carboxylate?
The canonical SMILES for tert-butyl (3R)-3-(imidazol-1-ylmethyl)piperidine-1-carboxylate is CC(C)(C)OC(=O)N1CCC[C@H](Cn2ccnc2)C1.
What is the InChIKey of tert-butyl (3R)-3-(imidazol-1-ylmethyl)piperidine-1-carboxylate?
The InChIKey is ZHMHJCUTSNXGFX-GFCCVEGCSA-N. The full InChI is InChI=1S/C14H23N3O2/c1-14(2,3)19-13(18)17-7-4-5-12(10-17)9-16-8-6-15-11-16/h6,8,11-12H,4-5,7,9-10H2,1-3H3/t12-/m1/s1.
What are the key properties of tert-butyl (3R)-3-(imidazol-1-ylmethyl)piperidine-1-carboxylate?
tert-butyl (3R)-3-(imidazol-1-ylmethyl)piperidine-1-carboxylate has a molecular weight of 265.36 g/mol, XLogP of 2.53, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl (3R)-3-(imidazol-1-ylmethyl)piperidine-1-carboxylate is sourced from PubChem (CID 12063849), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).