tert-butyl 4-(1-methylimidazol-2-yl)piperidine-1-carboxylate

C14H23N3O2 — CID 23084145

IUPACtert-butyl 4-(1-methylimidazol-2-yl)piperidine-1-carboxylate
SMILESCn1ccnc1C1CCN(C(=O)OC(C)(C)C)CC1
InChIInChI=1S/C14H23N3O2/c1-14(2,3)19-13(18)17-8-5-11(6-9-17)12-15-7-10-16(12)4/h7,10-11H,5-6,8-9H2,1-4H3
InChIKeyQPCDMMDMNSZEBU-UHFFFAOYSA-N
MW265.36 g/mol
LogP2.53
Rot. Bonds1

About tert-butyl 4-(1-methylimidazol-2-yl)piperidine-1-carboxylate

tert-butyl 4-(1-methylimidazol-2-yl)piperidine-1-carboxylate (PubChem CID 23084145) has the molecular formula C14H23N3O2 and a molecular weight of 265.36 g/mol. Its IUPAC name is tert-butyl 4-(1-methylimidazol-2-yl)piperidine-1-carboxylate.

Molecular Properties

Compound Nametert-butyl 4-(1-methylimidazol-2-yl)piperidine-1-carboxylate
PubChem CID23084145
Molecular FormulaC14H23N3O2
Molecular Weight265.36 g/mol
Exact Mass265.18
IUPAC Nametert-butyl 4-(1-methylimidazol-2-yl)piperidine-1-carboxylate
SMILESCn1ccnc1C1CCN(C(=O)OC(C)(C)C)CC1
InChIInChI=1S/C14H23N3O2/c1-14(2,3)19-13(18)17-8-5-11(6-9-17)12-15-7-10-16(12)4/h7,10-11H,5-6,8-9H2,1-4H3
InChIKeyQPCDMMDMNSZEBU-UHFFFAOYSA-N
XLogP2.53
TPSA47.36 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
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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Related Compounds

US10030012, Example 11
CID 78318801
Tert-butyl 3'-bromo-5',6'-dihydrospiro[piperidine-4,7'-pyrrolo[1,2-a]imidazole]-1-carboxylate
CID 71305372
tert-butyl 5H,6H,7H,8H-imidazo[1,2-a]pyrimidine-8-carboxylate
CID 153506247
1-(ethoxyacetyl)-4-(1-methyl-1H-imidazol-2-yl)piperidine
CID 70720685
(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
N-isopropyl-4-(1-isopropyl-1H-imidazol-2-yl)-1-piperidinecarboxamide
CID 72866493
4-(1-isopropyl-1H-imidazol-2-yl)-1-(1-pyrrolidinylcarbonyl)piperidine
CID 72889477
1-(cyclopropylcarbonyl)-N-methyl-N-[3-(1-methyl-1H-imidazol-2-yl)propyl]-4-piperidinecarboxamide
CID 72893576
1-(cyclobutylcarbonyl)-N-methyl-N-[3-(1-methyl-1H-imidazol-2-yl)propyl]-4-piperidinecarboxamide
CID 72924602
1-[3-[(1-Methylimidazol-2-yl)methyl]piperidin-1-yl]ethanone
CID 110269228
tert-butyl (3R,4S)-3-fluoro-4-[(1-methylimidazol-2-yl)sulfanylmethyl]piperidine-1-carboxylate
CID 164673827

Frequently Asked Questions

What is the IUPAC name of tert-butyl 4-(1-methylimidazol-2-yl)piperidine-1-carboxylate?
The IUPAC name of tert-butyl 4-(1-methylimidazol-2-yl)piperidine-1-carboxylate (CID 23084145) is tert-butyl 4-(1-methylimidazol-2-yl)piperidine-1-carboxylate.
What is the SMILES notation for tert-butyl 4-(1-methylimidazol-2-yl)piperidine-1-carboxylate?
The canonical SMILES for tert-butyl 4-(1-methylimidazol-2-yl)piperidine-1-carboxylate is Cn1ccnc1C1CCN(C(=O)OC(C)(C)C)CC1.
What is the InChIKey of tert-butyl 4-(1-methylimidazol-2-yl)piperidine-1-carboxylate?
The InChIKey is QPCDMMDMNSZEBU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23N3O2/c1-14(2,3)19-13(18)17-8-5-11(6-9-17)12-15-7-10-16(12)4/h7,10-11H,5-6,8-9H2,1-4H3.
What are the key properties of tert-butyl 4-(1-methylimidazol-2-yl)piperidine-1-carboxylate?
tert-butyl 4-(1-methylimidazol-2-yl)piperidine-1-carboxylate has a molecular weight of 265.36 g/mol, XLogP of 2.53, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 4-(1-methylimidazol-2-yl)piperidine-1-carboxylate is sourced from PubChem (CID 23084145), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).