tert-butyl (2R)-2-[[1H-imidazol-2-ylmethyl(methyl)amino]methyl]piperidine-1-carboxylate

C16H28N4O2 — CID 164635610

IUPACtert-butyl (2R)-2-[[1H-imidazol-2-ylmethyl(methyl)amino]methyl]piperidine-1-carboxylate
SMILESCN(Cc1ncc[nH]1)C[C@H]1CCCCN1C(=O)OC(C)(C)C
InChIInChI=1S/C16H28N4O2/c1-16(2,3)22-15(21)20-10-6-5-7-13(20)11-19(4)12-14-17-8-9-18-14/h8-9,13H,5-7,10-12H2,1-4H3,(H,17,18)/t13-/m1/s1
InChIKeyYIKZGSSJGPWLKE-CYBMUJFWSA-N
MW308.43 g/mol
LogP2.63
Rot. Bonds4

About tert-butyl (2R)-2-[[1H-imidazol-2-ylmethyl(methyl)amino]methyl]piperidine-1-carboxylate

tert-butyl (2R)-2-[[1H-imidazol-2-ylmethyl(methyl)amino]methyl]piperidine-1-carboxylate (PubChem CID 164635610) has the molecular formula C16H28N4O2 and a molecular weight of 308.43 g/mol. Its IUPAC name is tert-butyl (2R)-2-[[1H-imidazol-2-ylmethyl(methyl)amino]methyl]piperidine-1-carboxylate.

Molecular Properties

Compound Nametert-butyl (2R)-2-[[1H-imidazol-2-ylmethyl(methyl)amino]methyl]piperidine-1-carboxylate
PubChem CID164635610
Molecular FormulaC16H28N4O2
Molecular Weight308.43 g/mol
Exact Mass308.22
IUPAC Nametert-butyl (2R)-2-[[1H-imidazol-2-ylmethyl(methyl)amino]methyl]piperidine-1-carboxylate
SMILESCN(Cc1ncc[nH]1)C[C@H]1CCCCN1C(=O)OC(C)(C)C
InChIInChI=1S/C16H28N4O2/c1-16(2,3)22-15(21)20-10-6-5-7-13(20)11-19(4)12-14-17-8-9-18-14/h8-9,13H,5-7,10-12H2,1-4H3,(H,17,18)/t13-/m1/s1
InChIKeyYIKZGSSJGPWLKE-CYBMUJFWSA-N
XLogP2.63
TPSA61.46 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.43
LogP ≤ 52.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

tert-butyl N-[(1H-imidazol-2-yl)methyl]carbamate
CID 18670478
tert-butyl 3-(1H-imidazol-2-yl)azetidine-1-carboxylate
CID 58494519
tert-butyl 2-(4-iodo-1H-imidazol-2-yl)piperidine-1-carboxylate
CID 137935976
methyl {2-[3-(1H-imidazol-2-yl)-1-piperidinyl]-2-oxoethyl}carbamate
CID 70708569
1,1-Dimethylethyl (2S)-2-(5-bromo-1H-imidazol-2-yl)-1-pyrrolidinecarboxylate
CID 56605192
tert-butyl 3-(1-methyl-1H-imidazol-2-yl)piperazine-1-carboxylate
CID 102555143
tert-butyl 3-(1H-imidazol-2-yl)piperazine-1-carboxylate
CID 102707022
tert-butyl N-[2-amino-1-(1-methyl-1H-imidazol-2-yl)ethyl]carbamate
CID 130760837
tert-butyl 4-(2-aminoethyl)-3-(1-methyl-1H-imidazol-2-yl)piperazine-1-carboxylate
CID 137944657
3-[3-(4-ethylpiperazin-1-yl)propyl]-8-(1H-imidazol-2-ylmethyl)-1-oxa-3,8-diazaspiro[4.5]decan-2-one
CID 70742665
tert-Butyl (2S)-2-(1H-imidazol-2-yl)pyrrolidine-1-carboxylate
CID 49783269
tert-Butyl 2-(5-bromo-1H-imidazol-2-yl)pyrrolidine-1-carboxylate
CID 56605248

Frequently Asked Questions

What is the IUPAC name of tert-butyl (2R)-2-[[1H-imidazol-2-ylmethyl(methyl)amino]methyl]piperidine-1-carboxylate?
The IUPAC name of tert-butyl (2R)-2-[[1H-imidazol-2-ylmethyl(methyl)amino]methyl]piperidine-1-carboxylate (CID 164635610) is tert-butyl (2R)-2-[[1H-imidazol-2-ylmethyl(methyl)amino]methyl]piperidine-1-carboxylate.
What is the SMILES notation for tert-butyl (2R)-2-[[1H-imidazol-2-ylmethyl(methyl)amino]methyl]piperidine-1-carboxylate?
The canonical SMILES for tert-butyl (2R)-2-[[1H-imidazol-2-ylmethyl(methyl)amino]methyl]piperidine-1-carboxylate is CN(Cc1ncc[nH]1)C[C@H]1CCCCN1C(=O)OC(C)(C)C.
What is the InChIKey of tert-butyl (2R)-2-[[1H-imidazol-2-ylmethyl(methyl)amino]methyl]piperidine-1-carboxylate?
The InChIKey is YIKZGSSJGPWLKE-CYBMUJFWSA-N. The full InChI is InChI=1S/C16H28N4O2/c1-16(2,3)22-15(21)20-10-6-5-7-13(20)11-19(4)12-14-17-8-9-18-14/h8-9,13H,5-7,10-12H2,1-4H3,(H,17,18)/t13-/m1/s1.
What are the key properties of tert-butyl (2R)-2-[[1H-imidazol-2-ylmethyl(methyl)amino]methyl]piperidine-1-carboxylate?
tert-butyl (2R)-2-[[1H-imidazol-2-ylmethyl(methyl)amino]methyl]piperidine-1-carboxylate has a molecular weight of 308.43 g/mol, XLogP of 2.63, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl (2R)-2-[[1H-imidazol-2-ylmethyl(methyl)amino]methyl]piperidine-1-carboxylate is sourced from PubChem (CID 164635610), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).