(3R)-1-tert-butyl-3-[(4,5-dimethylimidazol-1-yl)methyl]piperidine

C15H27N3 — CID 59880662

IUPAC(3R)-1-tert-butyl-3-[(4,5-dimethylimidazol-1-yl)methyl]piperidine
SMILESCc1ncn(C[C@@H]2CCCN(C(C)(C)C)C2)c1C
InChIInChI=1S/C15H27N3/c1-12-13(2)17(11-16-12)9-14-7-6-8-18(10-14)15(3,4)5/h11,14H,6-10H2,1-5H3/t14-/m0/s1
InChIKeyNDVIYNSTTSMZNI-AWEZNQCLSA-N
MW249.40 g/mol
LogP3.01
Rot. Bonds2

About (3R)-1-tert-butyl-3-[(4,5-dimethylimidazol-1-yl)methyl]piperidine

(3R)-1-tert-butyl-3-[(4,5-dimethylimidazol-1-yl)methyl]piperidine (PubChem CID 59880662) has the molecular formula C15H27N3 and a molecular weight of 249.40 g/mol. Its IUPAC name is (3R)-1-tert-butyl-3-[(4,5-dimethylimidazol-1-yl)methyl]piperidine.

Molecular Properties

Compound Name(3R)-1-tert-butyl-3-[(4,5-dimethylimidazol-1-yl)methyl]piperidine
PubChem CID59880662
Molecular FormulaC15H27N3
Molecular Weight249.40 g/mol
Exact Mass249.22
IUPAC Name(3R)-1-tert-butyl-3-[(4,5-dimethylimidazol-1-yl)methyl]piperidine
SMILESCc1ncn(C[C@@H]2CCCN(C(C)(C)C)C2)c1C
InChIInChI=1S/C15H27N3/c1-12-13(2)17(11-16-12)9-14-7-6-8-18(10-14)15(3,4)5/h11,14H,6-10H2,1-5H3/t14-/m0/s1
InChIKeyNDVIYNSTTSMZNI-AWEZNQCLSA-N
XLogP3.01
TPSA21.06 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.40
LogP ≤ 53.01
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

N-methyl-1-[(2R)-1-methylpiperidin-2-yl]-N-[(1,4,5-trimethylimidazol-2-yl)methyl]methanamine
CID 125520307
5-Fluoro-1-(5-methylhexyl)-4-propan-2-ylimidazole
CID 22891131
1-[2-(3,3-Difluorocyclopentyl)ethyl]-4,5-dimethylimidazole;ethane
CID 178975536
1-[(3,3-Difluorocyclobutyl)methyl]-4,5-dimethylimidazole
CID 131183293
4-[2-(4,5-Dimethylimidazol-1-yl)-1-fluoroethyl]piperidine
CID 167880569
1-[2-(3,3-Difluorocyclopentyl)ethyl]-4,5-dimethylimidazole
CID 178975537
4,5-Dimethyl-1,3-di(propan-2-yl)imidazol-1-ium
CID 12077783
1-Tert-butyl-4,5-dimethylimidazole
CID 13805409
1-[3-(4-Methylimidazol-1-yl)propyl]piperidine
CID 17944660
1-Butyl-4,5-dimethylimidazole
CID 18671206
1-Methyl-4-[3-(4-methylimidazol-1-yl)propyl]piperidine
CID 18712915
1-Methyl-4-[3-(5-methylimidazol-1-yl)propyl]piperidine
CID 18712916

Frequently Asked Questions

What is the IUPAC name of (3R)-1-tert-butyl-3-[(4,5-dimethylimidazol-1-yl)methyl]piperidine?
The IUPAC name of (3R)-1-tert-butyl-3-[(4,5-dimethylimidazol-1-yl)methyl]piperidine (CID 59880662) is (3R)-1-tert-butyl-3-[(4,5-dimethylimidazol-1-yl)methyl]piperidine.
What is the SMILES notation for (3R)-1-tert-butyl-3-[(4,5-dimethylimidazol-1-yl)methyl]piperidine?
The canonical SMILES for (3R)-1-tert-butyl-3-[(4,5-dimethylimidazol-1-yl)methyl]piperidine is Cc1ncn(C[C@@H]2CCCN(C(C)(C)C)C2)c1C.
What is the InChIKey of (3R)-1-tert-butyl-3-[(4,5-dimethylimidazol-1-yl)methyl]piperidine?
The InChIKey is NDVIYNSTTSMZNI-AWEZNQCLSA-N. The full InChI is InChI=1S/C15H27N3/c1-12-13(2)17(11-16-12)9-14-7-6-8-18(10-14)15(3,4)5/h11,14H,6-10H2,1-5H3/t14-/m0/s1.
What are the key properties of (3R)-1-tert-butyl-3-[(4,5-dimethylimidazol-1-yl)methyl]piperidine?
(3R)-1-tert-butyl-3-[(4,5-dimethylimidazol-1-yl)methyl]piperidine has a molecular weight of 249.40 g/mol, XLogP of 3.01, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-1-tert-butyl-3-[(4,5-dimethylimidazol-1-yl)methyl]piperidine is sourced from PubChem (CID 59880662), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).