tert-butyl (3R)-3-[(2-methylimidazol-1-yl)methyl]piperidine-1-carboxylate

C15H25N3O2 — CID 12063850

IUPACtert-butyl (3R)-3-[(2-methylimidazol-1-yl)methyl]piperidine-1-carboxylate
SMILESCc1nccn1C[C@H]1CCCN(C(=O)OC(C)(C)C)C1
InChIInChI=1S/C15H25N3O2/c1-12-16-7-9-17(12)10-13-6-5-8-18(11-13)14(19)20-15(2,3)4/h7,9,13H,5-6,8,10-11H2,1-4H3/t13-/m1/s1
InChIKeyDTTISDQMZALCJJ-CYBMUJFWSA-N
MW279.38 g/mol
LogP2.84
Rot. Bonds2

About tert-butyl (3R)-3-[(2-methylimidazol-1-yl)methyl]piperidine-1-carboxylate

tert-butyl (3R)-3-[(2-methylimidazol-1-yl)methyl]piperidine-1-carboxylate (PubChem CID 12063850) has the molecular formula C15H25N3O2 and a molecular weight of 279.38 g/mol. Its IUPAC name is tert-butyl (3R)-3-[(2-methylimidazol-1-yl)methyl]piperidine-1-carboxylate.

Molecular Properties

Compound Nametert-butyl (3R)-3-[(2-methylimidazol-1-yl)methyl]piperidine-1-carboxylate
PubChem CID12063850
Molecular FormulaC15H25N3O2
Molecular Weight279.38 g/mol
Exact Mass279.19
IUPAC Nametert-butyl (3R)-3-[(2-methylimidazol-1-yl)methyl]piperidine-1-carboxylate
SMILESCc1nccn1C[C@H]1CCCN(C(=O)OC(C)(C)C)C1
InChIInChI=1S/C15H25N3O2/c1-12-16-7-9-17(12)10-13-6-5-8-18(11-13)14(19)20-15(2,3)4/h7,9,13H,5-6,8,10-11H2,1-4H3/t13-/m1/s1
InChIKeyDTTISDQMZALCJJ-CYBMUJFWSA-N
XLogP2.84
TPSA47.36 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.38
LogP ≤ 52.84
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze tert-butyl (3R)-3-[(2-methylimidazol-1-yl)methyl]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

Related Compounds

US10030012, Example 11
CID 78318801
tert-butyl 5H,6H,7H,8H-imidazo[1,2-a]pyrimidine-8-carboxylate
CID 153506247
(3R*,4S*)-3,4-dimethyl-1-[4-(2-methyl-1H-imidazol-1-yl)butanoyl]piperidin-4-ol
CID 70729750
2-methoxyethyl 4-[1-(cyclopropylmethyl)-1H-imidazol-2-yl]-1-piperidinecarboxylate
CID 70775664
1-({3-[1-(cyclobutylmethyl)-1H-imidazol-2-yl]-1-piperidinyl}carbonyl)-4-methylpiperazine
CID 72915945
1-[3-[3-[(2-Methylimidazol-1-yl)methyl]piperidine-1-carbonyl]azetidin-1-yl]ethanone
CID 110246353
1-[3-[(1-Methylimidazol-2-yl)methyl]piperidin-1-yl]ethanone
CID 110269228
tert-Butyl 5,6-dihydroimidazo(1,2-a)pyrazine-7(8H)-carboxylate
CID 21955306
tert-Butyl 4-((1H-imidazole-1-carbonyl)oxy)piperidine-1-carboxylate
CID 137950586
US10030012, Example 83
CID 78318449
US10030012, Example 1
CID 78318680
US10030012, Example 9
CID 78318741

Frequently Asked Questions

What is the IUPAC name of tert-butyl (3R)-3-[(2-methylimidazol-1-yl)methyl]piperidine-1-carboxylate?
The IUPAC name of tert-butyl (3R)-3-[(2-methylimidazol-1-yl)methyl]piperidine-1-carboxylate (CID 12063850) is tert-butyl (3R)-3-[(2-methylimidazol-1-yl)methyl]piperidine-1-carboxylate.
What is the SMILES notation for tert-butyl (3R)-3-[(2-methylimidazol-1-yl)methyl]piperidine-1-carboxylate?
The canonical SMILES for tert-butyl (3R)-3-[(2-methylimidazol-1-yl)methyl]piperidine-1-carboxylate is Cc1nccn1C[C@H]1CCCN(C(=O)OC(C)(C)C)C1.
What is the InChIKey of tert-butyl (3R)-3-[(2-methylimidazol-1-yl)methyl]piperidine-1-carboxylate?
The InChIKey is DTTISDQMZALCJJ-CYBMUJFWSA-N. The full InChI is InChI=1S/C15H25N3O2/c1-12-16-7-9-17(12)10-13-6-5-8-18(11-13)14(19)20-15(2,3)4/h7,9,13H,5-6,8,10-11H2,1-4H3/t13-/m1/s1.
What are the key properties of tert-butyl (3R)-3-[(2-methylimidazol-1-yl)methyl]piperidine-1-carboxylate?
tert-butyl (3R)-3-[(2-methylimidazol-1-yl)methyl]piperidine-1-carboxylate has a molecular weight of 279.38 g/mol, XLogP of 2.84, 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-[(2-methylimidazol-1-yl)methyl]piperidine-1-carboxylate is sourced from PubChem (CID 12063850), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).