tert-butyl 4-(imidazol-1-ylmethyl)piperidine-1-carboxylate

C14H23N3O2 — CID 22662878

IUPACtert-butyl 4-(imidazol-1-ylmethyl)piperidine-1-carboxylate
SMILESCC(C)(C)OC(=O)N1CCC(Cn2ccnc2)CC1
InChIInChI=1S/C14H23N3O2/c1-14(2,3)19-13(18)17-7-4-12(5-8-17)10-16-9-6-15-11-16/h6,9,11-12H,4-5,7-8,10H2,1-3H3
InChIKeyBJBIMVUYRLMGTP-UHFFFAOYSA-N
MW265.36 g/mol
LogP2.53
Rot. Bonds2

About tert-butyl 4-(imidazol-1-ylmethyl)piperidine-1-carboxylate

tert-butyl 4-(imidazol-1-ylmethyl)piperidine-1-carboxylate (PubChem CID 22662878) has the molecular formula C14H23N3O2 and a molecular weight of 265.36 g/mol. Its IUPAC name is tert-butyl 4-(imidazol-1-ylmethyl)piperidine-1-carboxylate.

Molecular Properties

Compound Nametert-butyl 4-(imidazol-1-ylmethyl)piperidine-1-carboxylate
PubChem CID22662878
Molecular FormulaC14H23N3O2
Molecular Weight265.36 g/mol
Exact Mass265.18
IUPAC Nametert-butyl 4-(imidazol-1-ylmethyl)piperidine-1-carboxylate
SMILESCC(C)(C)OC(=O)N1CCC(Cn2ccnc2)CC1
InChIInChI=1S/C14H23N3O2/c1-14(2,3)19-13(18)17-7-4-12(5-8-17)10-16-9-6-15-11-16/h6,9,11-12H,4-5,7-8,10H2,1-3H3
InChIKeyBJBIMVUYRLMGTP-UHFFFAOYSA-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

Analyze tert-butyl 4-(imidazol-1-ylmethyl)piperidine-1-carboxylate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of tert-butyl 4-(imidazol-1-ylmethyl)piperidine-1-carboxylate?
The IUPAC name of tert-butyl 4-(imidazol-1-ylmethyl)piperidine-1-carboxylate (CID 22662878) is tert-butyl 4-(imidazol-1-ylmethyl)piperidine-1-carboxylate.
What is the SMILES notation for tert-butyl 4-(imidazol-1-ylmethyl)piperidine-1-carboxylate?
The canonical SMILES for tert-butyl 4-(imidazol-1-ylmethyl)piperidine-1-carboxylate is CC(C)(C)OC(=O)N1CCC(Cn2ccnc2)CC1.
What is the InChIKey of tert-butyl 4-(imidazol-1-ylmethyl)piperidine-1-carboxylate?
The InChIKey is BJBIMVUYRLMGTP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23N3O2/c1-14(2,3)19-13(18)17-7-4-12(5-8-17)10-16-9-6-15-11-16/h6,9,11-12H,4-5,7-8,10H2,1-3H3.
What are the key properties of tert-butyl 4-(imidazol-1-ylmethyl)piperidine-1-carboxylate?
tert-butyl 4-(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 4-(imidazol-1-ylmethyl)piperidine-1-carboxylate is sourced from PubChem (CID 22662878), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).