1-tert-butyl-4-(5-tert-butyl-1H-imidazol-2-yl)piperidine

C16H29N3 — CID 67954528

IUPAC1-tert-butyl-4-(5-tert-butyl-1H-imidazol-2-yl)piperidine
SMILESCC(C)(C)c1cnc(C2CCN(C(C)(C)C)CC2)[nH]1
InChIInChI=1S/C16H29N3/c1-15(2,3)13-11-17-14(18-13)12-7-9-19(10-8-12)16(4,5)6/h11-12H,7-10H2,1-6H3,(H,17,18)
InChIKeyPVJPSGMMGOKNHB-UHFFFAOYSA-N
MW263.43 g/mol
LogP3.69
Rot. Bonds1

About 1-tert-butyl-4-(5-tert-butyl-1H-imidazol-2-yl)piperidine

1-tert-butyl-4-(5-tert-butyl-1H-imidazol-2-yl)piperidine (PubChem CID 67954528) has the molecular formula C16H29N3 and a molecular weight of 263.43 g/mol. Its IUPAC name is 1-tert-butyl-4-(5-tert-butyl-1H-imidazol-2-yl)piperidine.

Molecular Properties

Compound Name1-tert-butyl-4-(5-tert-butyl-1H-imidazol-2-yl)piperidine
PubChem CID67954528
Molecular FormulaC16H29N3
Molecular Weight263.43 g/mol
Exact Mass263.24
IUPAC Name1-tert-butyl-4-(5-tert-butyl-1H-imidazol-2-yl)piperidine
SMILESCC(C)(C)c1cnc(C2CCN(C(C)(C)C)CC2)[nH]1
InChIInChI=1S/C16H29N3/c1-15(2,3)13-11-17-14(18-13)12-7-9-19(10-8-12)16(4,5)6/h11-12H,7-10H2,1-6H3,(H,17,18)
InChIKeyPVJPSGMMGOKNHB-UHFFFAOYSA-N
XLogP3.69
TPSA31.92 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.43
LogP ≤ 53.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-tert-butyl-4-(5-tert-butyl-1H-imidazol-2-yl)piperidine?
The IUPAC name of 1-tert-butyl-4-(5-tert-butyl-1H-imidazol-2-yl)piperidine (CID 67954528) is 1-tert-butyl-4-(5-tert-butyl-1H-imidazol-2-yl)piperidine.
What is the SMILES notation for 1-tert-butyl-4-(5-tert-butyl-1H-imidazol-2-yl)piperidine?
The canonical SMILES for 1-tert-butyl-4-(5-tert-butyl-1H-imidazol-2-yl)piperidine is CC(C)(C)c1cnc(C2CCN(C(C)(C)C)CC2)[nH]1.
What is the InChIKey of 1-tert-butyl-4-(5-tert-butyl-1H-imidazol-2-yl)piperidine?
The InChIKey is PVJPSGMMGOKNHB-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H29N3/c1-15(2,3)13-11-17-14(18-13)12-7-9-19(10-8-12)16(4,5)6/h11-12H,7-10H2,1-6H3,(H,17,18).
What are the key properties of 1-tert-butyl-4-(5-tert-butyl-1H-imidazol-2-yl)piperidine?
1-tert-butyl-4-(5-tert-butyl-1H-imidazol-2-yl)piperidine has a molecular weight of 263.43 g/mol, XLogP of 3.69, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-tert-butyl-4-(5-tert-butyl-1H-imidazol-2-yl)piperidine is sourced from PubChem (CID 67954528), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).