(3R)-3-(5-tert-butyl-1H-imidazol-2-yl)piperidine

C12H21N3 — CID 93256100

IUPAC(3R)-3-(5-tert-butyl-1H-imidazol-2-yl)piperidine
SMILESCC(C)(C)c1cnc([C@@H]2CCCNC2)[nH]1
InChIInChI=1S/C12H21N3/c1-12(2,3)10-8-14-11(15-10)9-5-4-6-13-7-9/h8-9,13H,4-7H2,1-3H3,(H,14,15)/t9-/m1/s1
InChIKeyXHHAAZCVMGMFLR-SECBINFHSA-N
MW207.32 g/mol
LogP2.17
Rot. Bonds1

About (3R)-3-(5-tert-butyl-1H-imidazol-2-yl)piperidine

(3R)-3-(5-tert-butyl-1H-imidazol-2-yl)piperidine (PubChem CID 93256100) has the molecular formula C12H21N3 and a molecular weight of 207.32 g/mol. Its IUPAC name is (3R)-3-(5-tert-butyl-1H-imidazol-2-yl)piperidine.

Molecular Properties

Compound Name(3R)-3-(5-tert-butyl-1H-imidazol-2-yl)piperidine
PubChem CID93256100
Molecular FormulaC12H21N3
Molecular Weight207.32 g/mol
Exact Mass207.17
IUPAC Name(3R)-3-(5-tert-butyl-1H-imidazol-2-yl)piperidine
SMILESCC(C)(C)c1cnc([C@@H]2CCCNC2)[nH]1
InChIInChI=1S/C12H21N3/c1-12(2,3)10-8-14-11(15-10)9-5-4-6-13-7-9/h8-9,13H,4-7H2,1-3H3,(H,14,15)/t9-/m1/s1
InChIKeyXHHAAZCVMGMFLR-SECBINFHSA-N
XLogP2.17
TPSA40.71 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.32
LogP ≤ 52.17
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

5-tert-butyl-2-[(2R)-pyrrolidin-2-yl]-1H-imidazole
CID 93255768
tert-butyl N-(2-piperidin-3-yl-1H-imidazol-5-yl)carbamate
CID 83671970
4-(5-tert-butyl-1H-imidazol-2-yl)-N-propan-2-ylcyclohexan-1-amine
CID 168724950
2-(5-tert-butyl-1H-imidazol-2-yl)azepane
CID 64570176
2-tert-butyl-5-piperidin-3-ylpyridine
CID 134595467
2-(2-piperidin-3-yl-1H-imidazol-5-yl)acetonitrile
CID 82403871
4-[5-(2-fluoropropan-2-yl)-1H-imidazol-2-yl]piperidine
CID 84781853
3-[5-(2,6-difluorophenyl)-1H-imidazol-2-yl]piperidine
CID 43650985
3-(4-tert-butylphenyl)piperidine
CID 24904200
2-cyclopentyl-5-(trifluoromethyl)-1H-imidazole
CID 71204532
3-[5-[4-(2-methylpropyl)phenyl]-1H-imidazol-2-yl]piperidine
CID 43651004
3-[5-(3,4-difluorophenyl)-1H-imidazol-2-yl]piperidine
CID 43650991

Frequently Asked Questions

What is the IUPAC name of (3R)-3-(5-tert-butyl-1H-imidazol-2-yl)piperidine?
The IUPAC name of (3R)-3-(5-tert-butyl-1H-imidazol-2-yl)piperidine (CID 93256100) is (3R)-3-(5-tert-butyl-1H-imidazol-2-yl)piperidine.
What is the SMILES notation for (3R)-3-(5-tert-butyl-1H-imidazol-2-yl)piperidine?
The canonical SMILES for (3R)-3-(5-tert-butyl-1H-imidazol-2-yl)piperidine is CC(C)(C)c1cnc([C@@H]2CCCNC2)[nH]1.
What is the InChIKey of (3R)-3-(5-tert-butyl-1H-imidazol-2-yl)piperidine?
The InChIKey is XHHAAZCVMGMFLR-SECBINFHSA-N. The full InChI is InChI=1S/C12H21N3/c1-12(2,3)10-8-14-11(15-10)9-5-4-6-13-7-9/h8-9,13H,4-7H2,1-3H3,(H,14,15)/t9-/m1/s1.
What are the key properties of (3R)-3-(5-tert-butyl-1H-imidazol-2-yl)piperidine?
(3R)-3-(5-tert-butyl-1H-imidazol-2-yl)piperidine has a molecular weight of 207.32 g/mol, XLogP of 2.17, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-3-(5-tert-butyl-1H-imidazol-2-yl)piperidine is sourced from PubChem (CID 93256100), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).