tert-butyl (3R)-3-[(2,4-dimethyl-4,5-dihydroimidazol-1-yl)methyl]piperidine-1-carboxylate

C16H29N3O2 — CID 142002007

IUPACtert-butyl (3R)-3-[(2,4-dimethyl-4,5-dihydroimidazol-1-yl)methyl]piperidine-1-carboxylate
SMILESCC1=NC(C)CN1C[C@H]1CCCN(C(=O)OC(C)(C)C)C1
InChIInChI=1S/C16H29N3O2/c1-12-9-19(13(2)17-12)11-14-7-6-8-18(10-14)15(20)21-16(3,4)5/h12,14H,6-11H2,1-5H3/t12?,14-/m0/s1
InChIKeyMNHVNALJQKVUJJ-PYMCNQPYSA-N
MW295.43 g/mol
LogP2.76
Rot. Bonds2

About tert-butyl (3R)-3-[(2,4-dimethyl-4,5-dihydroimidazol-1-yl)methyl]piperidine-1-carboxylate

tert-butyl (3R)-3-[(2,4-dimethyl-4,5-dihydroimidazol-1-yl)methyl]piperidine-1-carboxylate (PubChem CID 142002007) has the molecular formula C16H29N3O2 and a molecular weight of 295.43 g/mol. Its IUPAC name is tert-butyl (3R)-3-[(2,4-dimethyl-4,5-dihydroimidazol-1-yl)methyl]piperidine-1-carboxylate.

Molecular Properties

Compound Nametert-butyl (3R)-3-[(2,4-dimethyl-4,5-dihydroimidazol-1-yl)methyl]piperidine-1-carboxylate
PubChem CID142002007
Molecular FormulaC16H29N3O2
Molecular Weight295.43 g/mol
Exact Mass295.23
IUPAC Nametert-butyl (3R)-3-[(2,4-dimethyl-4,5-dihydroimidazol-1-yl)methyl]piperidine-1-carboxylate
SMILESCC1=NC(C)CN1C[C@H]1CCCN(C(=O)OC(C)(C)C)C1
InChIInChI=1S/C16H29N3O2/c1-12-9-19(13(2)17-12)11-14-7-6-8-18(10-14)15(20)21-16(3,4)5/h12,14H,6-11H2,1-5H3/t12?,14-/m0/s1
InChIKeyMNHVNALJQKVUJJ-PYMCNQPYSA-N
XLogP2.76
TPSA45.14 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.43
LogP ≤ 52.76
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

tert-butyl 3-(3a,4,5,6,7,7a-hexahydro-1H-benzimidazol-2-yl)piperidine-1-carboxylate
CID 66786184
tert-butyl (3R)-3-(3a,4,5,6,7,7a-hexahydro-1H-benzimidazol-2-yl)piperidine-1-carboxylate
CID 66786185
tert-butyl 3-(5,6,7,7a-tetrahydro-1H-pyrrolo[1,2-c]imidazol-3-yl)piperidine-1-carboxylate
CID 117966280
tert-butyl (3R)-3-[[N-(ethyliminomethyl)-C-methylcarbonimidoyl]-(methylideneamino)amino]piperidine-1-carboxylate
CID 134531658
tert-butyl 3-cyclopentyl-4,6,7,7a-tetrahydro-3aH-imidazo[4,5-c]pyridine-5-carboxylate
CID 162770336
tert-butyl 6-[(1-methylpiperidin-3-yl)methylamino]-3,5-dihydro-2H-pyrazine-4-carboxylate
CID 103398074
tert-butyl 6-(5-methylhexan-2-ylamino)-3,5-dihydro-2H-pyrazine-4-carboxylate
CID 103398170
tert-butyl 6-[(1,3-dimethylpiperidin-4-yl)amino]-3,5-dihydro-2H-pyrazine-4-carboxylate
CID 103398421
Tert-butyl 3-(4,5-dihydro-1H-imidazol-2-yl)piperidine-1-carboxylate
CID 132364746

Frequently Asked Questions

What is the IUPAC name of tert-butyl (3R)-3-[(2,4-dimethyl-4,5-dihydroimidazol-1-yl)methyl]piperidine-1-carboxylate?
The IUPAC name of tert-butyl (3R)-3-[(2,4-dimethyl-4,5-dihydroimidazol-1-yl)methyl]piperidine-1-carboxylate (CID 142002007) is tert-butyl (3R)-3-[(2,4-dimethyl-4,5-dihydroimidazol-1-yl)methyl]piperidine-1-carboxylate.
What is the SMILES notation for tert-butyl (3R)-3-[(2,4-dimethyl-4,5-dihydroimidazol-1-yl)methyl]piperidine-1-carboxylate?
The canonical SMILES for tert-butyl (3R)-3-[(2,4-dimethyl-4,5-dihydroimidazol-1-yl)methyl]piperidine-1-carboxylate is CC1=NC(C)CN1C[C@H]1CCCN(C(=O)OC(C)(C)C)C1.
What is the InChIKey of tert-butyl (3R)-3-[(2,4-dimethyl-4,5-dihydroimidazol-1-yl)methyl]piperidine-1-carboxylate?
The InChIKey is MNHVNALJQKVUJJ-PYMCNQPYSA-N. The full InChI is InChI=1S/C16H29N3O2/c1-12-9-19(13(2)17-12)11-14-7-6-8-18(10-14)15(20)21-16(3,4)5/h12,14H,6-11H2,1-5H3/t12?,14-/m0/s1.
What are the key properties of tert-butyl (3R)-3-[(2,4-dimethyl-4,5-dihydroimidazol-1-yl)methyl]piperidine-1-carboxylate?
tert-butyl (3R)-3-[(2,4-dimethyl-4,5-dihydroimidazol-1-yl)methyl]piperidine-1-carboxylate has a molecular weight of 295.43 g/mol, XLogP of 2.76, 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-[(2,4-dimethyl-4,5-dihydroimidazol-1-yl)methyl]piperidine-1-carboxylate is sourced from PubChem (CID 142002007), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).