bis((3S)-1-tert-butyl-3-[(2-methylimidazol-1-yl)methyl]piperidine);bis((3R)-1-tert-butyl-3-[(2-methylimidazol-1-yl)methyl]piperidine);bis((3S)-1-tert-butyl-3-[(4-methylimidazol-1-yl)methyl]piperidine);(3R)-1-tert-butyl-3-[(4-methylimidazol-1-yl)methyl]piperidine;bis((3R)-1-tert-butyl-3-(pyrrol-1-ylmethyl)piperidine)

C126H223N25 — CID 159613034

IUPACbis((3S)-1-tert-butyl-3-[(2-methylimidazol-1-yl)methyl]piperidine);bis((3R)-1-tert-butyl-3-[(2-methylimidazol-1-yl)methyl]piperidine);bis((3S)-1-tert-butyl-3-[(4-methylimidazol-1-yl)methyl]piperidine);(3R)-1-tert-butyl-3-[(4-methylimidazol-1-yl)methyl]piperidine;bis((3R)-1-tert-butyl-3-(pyrrol-1-ylmethyl)piperidine)
SMILESCC(C)(C)N1CCC[C@H](Cn2cccc2)C1.CC(C)(C)N1CCC[C@H](Cn2cccc2)C1.Cc1cn(C[C@@H]2CCCN(C(C)(C)C)C2)cn1.Cc1cn(C[C@H]2CCCN(C(C)(C)C)C2)cn1.Cc1cn(C[C@H]2CCCN(C(C)(C)C)C2)cn1.Cc1nccn1C[C@@H]1CCCN(C(C)(C)C)C1.Cc1nccn1C[C@@H]1CCCN(C(C)(C)C)C1.Cc1nccn1C[C@H]1CCCN(C(C)(C)C)C1.Cc1nccn1C[C@H]1CCCN(C(C)(C)C)C1
InChIInChI=1S/7C14H25N3.2C14H24N2/c4*1-12-15-7-9-16(12)10-13-6-5-8-17(11-13)14(2,3)4;3*1-12-8-16(11-15-12)9-13-6-5-7-17(10-13)14(2,3)4;2*1-14(2,3)16-10-6-7-13(12-16)11-15-8-4-5-9-15/h4*7,9,13H,5-6,8,10-11H2,1-4H3;3*8,11,13H,5-7,9-10H2,1-4H3;2*4-5,8-9,13H,6-7,10-12H2,1-3H3/t9*13-/m110011011/s1
InChIKeyMMYFBIBGRUXZSE-UQLHYTESSA-N
MW2088.34 g/mol
LogP24.91
Rot. Bonds18

About bis((3S)-1-tert-butyl-3-[(2-methylimidazol-1-yl)methyl]piperidine);bis((3R)-1-tert-butyl-3-[(2-methylimidazol-1-yl)methyl]piperidine);bis((3S)-1-tert-butyl-3-[(4-methylimidazol-1-yl)methyl]piperidine);(3R)-1-tert-butyl-3-[(4-methylimidazol-1-yl)methyl]piperidine;bis((3R)-1-tert-butyl-3-(pyrrol-1-ylmethyl)piperidine)

bis((3S)-1-tert-butyl-3-[(2-methylimidazol-1-yl)methyl]piperidine);bis((3R)-1-tert-butyl-3-[(2-methylimidazol-1-yl)methyl]piperidine);bis((3S)-1-tert-butyl-3-[(4-methylimidazol-1-yl)methyl]piperidine);(3R)-1-tert-butyl-3-[(4-methylimidazol-1-yl)methyl]piperidine;bis((3R)-1-tert-butyl-3-(pyrrol-1-ylmethyl)piperidine) (PubChem CID 159613034) has the molecular formula C126H223N25 and a molecular weight of 2088.34 g/mol. Its IUPAC name is bis((3S)-1-tert-butyl-3-[(2-methylimidazol-1-yl)methyl]piperidine);bis((3R)-1-tert-butyl-3-[(2-methylimidazol-1-yl)methyl]piperidine);bis((3S)-1-tert-butyl-3-[(4-methylimidazol-1-yl)methyl]piperidine);(3R)-1-tert-butyl-3-[(4-methylimidazol-1-yl)methyl]piperidine;bis((3R)-1-tert-butyl-3-(pyrrol-1-ylmethyl)piperidine).

Molecular Properties

Compound Namebis((3S)-1-tert-butyl-3-[(2-methylimidazol-1-yl)methyl]piperidine);bis((3R)-1-tert-butyl-3-[(2-methylimidazol-1-yl)methyl]piperidine);bis((3S)-1-tert-butyl-3-[(4-methylimidazol-1-yl)methyl]piperidine);(3R)-1-tert-butyl-3-[(4-methylimidazol-1-yl)methyl]piperidine;bis((3R)-1-tert-butyl-3-(pyrrol-1-ylmethyl)piperidine)
PubChem CID159613034
Molecular FormulaC126H223N25
Molecular Weight2088.34 g/mol
Exact Mass2086.82
IUPAC Namebis((3S)-1-tert-butyl-3-[(2-methylimidazol-1-yl)methyl]piperidine);bis((3R)-1-tert-butyl-3-[(2-methylimidazol-1-yl)methyl]piperidine);bis((3S)-1-tert-butyl-3-[(4-methylimidazol-1-yl)methyl]piperidine);(3R)-1-tert-butyl-3-[(4-methylimidazol-1-yl)methyl]piperidine;bis((3R)-1-tert-butyl-3-(pyrrol-1-ylmethyl)piperidine)
SMILESCC(C)(C)N1CCC[C@H](Cn2cccc2)C1.CC(C)(C)N1CCC[C@H](Cn2cccc2)C1.Cc1cn(C[C@@H]2CCCN(C(C)(C)C)C2)cn1.Cc1cn(C[C@H]2CCCN(C(C)(C)C)C2)cn1.Cc1cn(C[C@H]2CCCN(C(C)(C)C)C2)cn1.Cc1nccn1C[C@@H]1CCCN(C(C)(C)C)C1.Cc1nccn1C[C@@H]1CCCN(C(C)(C)C)C1.Cc1nccn1C[C@H]1CCCN(C(C)(C)C)C1.Cc1nccn1C[C@H]1CCCN(C(C)(C)C)C1
InChIInChI=1S/7C14H25N3.2C14H24N2/c4*1-12-15-7-9-16(12)10-13-6-5-8-17(11-13)14(2,3)4;3*1-12-8-16(11-15-12)9-13-6-5-7-17(10-13)14(2,3)4;2*1-14(2,3)16-10-6-7-13(12-16)11-15-8-4-5-9-15/h4*7,9,13H,5-6,8,10-11H2,1-4H3;3*8,11,13H,5-7,9-10H2,1-4H3;2*4-5,8-9,13H,6-7,10-12H2,1-3H3/t9*13-/m110011011/s1
InChIKeyMMYFBIBGRUXZSE-UQLHYTESSA-N
XLogP24.91
TPSA163.76 Ų
H-Bond Donors
H-Bond Acceptors25
Rotatable Bonds18
Heavy Atoms151
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5002088.34
LogP ≤ 524.91
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1025

Analyze bis((3S)-1-tert-butyl-3-[(2-methylimidazol-1-yl)methyl]piperidine);bis((3R)-1-tert-butyl-3-[(2-methylimidazol-1-yl)methyl]piperidine);bis((3S)-1-tert-butyl-3-[(4-methylimidazol-1-yl)methyl]piperidine);(3R)-1-tert-butyl-3-[(4-methylimidazol-1-yl)methyl]piperidine;bis((3R)-1-tert-butyl-3-(pyrrol-1-ylmethyl)piperidine) with MolForge

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Frequently Asked Questions

What is the IUPAC name of bis((3S)-1-tert-butyl-3-[(2-methylimidazol-1-yl)methyl]piperidine);bis((3R)-1-tert-butyl-3-[(2-methylimidazol-1-yl)methyl]piperidine);bis((3S)-1-tert-butyl-3-[(4-methylimidazol-1-yl)methyl]piperidine);(3R)-1-tert-butyl-3-[(4-methylimidazol-1-yl)methyl]piperidine;bis((3R)-1-tert-butyl-3-(pyrrol-1-ylmethyl)piperidine)?
The IUPAC name of bis((3S)-1-tert-butyl-3-[(2-methylimidazol-1-yl)methyl]piperidine);bis((3R)-1-tert-butyl-3-[(2-methylimidazol-1-yl)methyl]piperidine);bis((3S)-1-tert-butyl-3-[(4-methylimidazol-1-yl)methyl]piperidine);(3R)-1-tert-butyl-3-[(4-methylimidazol-1-yl)methyl]piperidine;bis((3R)-1-tert-butyl-3-(pyrrol-1-ylmethyl)piperidine) (CID 159613034) is bis((3S)-1-tert-butyl-3-[(2-methylimidazol-1-yl)methyl]piperidine);bis((3R)-1-tert-butyl-3-[(2-methylimidazol-1-yl)methyl]piperidine);bis((3S)-1-tert-butyl-3-[(4-methylimidazol-1-yl)methyl]piperidine);(3R)-1-tert-butyl-3-[(4-methylimidazol-1-yl)methyl]piperidine;bis((3R)-1-tert-butyl-3-(pyrrol-1-ylmethyl)piperidine).
What is the SMILES notation for bis((3S)-1-tert-butyl-3-[(2-methylimidazol-1-yl)methyl]piperidine);bis((3R)-1-tert-butyl-3-[(2-methylimidazol-1-yl)methyl]piperidine);bis((3S)-1-tert-butyl-3-[(4-methylimidazol-1-yl)methyl]piperidine);(3R)-1-tert-butyl-3-[(4-methylimidazol-1-yl)methyl]piperidine;bis((3R)-1-tert-butyl-3-(pyrrol-1-ylmethyl)piperidine)?
The canonical SMILES for bis((3S)-1-tert-butyl-3-[(2-methylimidazol-1-yl)methyl]piperidine);bis((3R)-1-tert-butyl-3-[(2-methylimidazol-1-yl)methyl]piperidine);bis((3S)-1-tert-butyl-3-[(4-methylimidazol-1-yl)methyl]piperidine);(3R)-1-tert-butyl-3-[(4-methylimidazol-1-yl)methyl]piperidine;bis((3R)-1-tert-butyl-3-(pyrrol-1-ylmethyl)piperidine) is CC(C)(C)N1CCC[C@H](Cn2cccc2)C1.CC(C)(C)N1CCC[C@H](Cn2cccc2)C1.Cc1cn(C[C@@H]2CCCN(C(C)(C)C)C2)cn1.Cc1cn(C[C@H]2CCCN(C(C)(C)C)C2)cn1.Cc1cn(C[C@H]2CCCN(C(C)(C)C)C2)cn1.Cc1nccn1C[C@@H]1CCCN(C(C)(C)C)C1.Cc1nccn1C[C@@H]1CCCN(C(C)(C)C)C1.Cc1nccn1C[C@H]1CCCN(C(C)(C)C)C1.Cc1nccn1C[C@H]1CCCN(C(C)(C)C)C1.
What is the InChIKey of bis((3S)-1-tert-butyl-3-[(2-methylimidazol-1-yl)methyl]piperidine);bis((3R)-1-tert-butyl-3-[(2-methylimidazol-1-yl)methyl]piperidine);bis((3S)-1-tert-butyl-3-[(4-methylimidazol-1-yl)methyl]piperidine);(3R)-1-tert-butyl-3-[(4-methylimidazol-1-yl)methyl]piperidine;bis((3R)-1-tert-butyl-3-(pyrrol-1-ylmethyl)piperidine)?
The InChIKey is MMYFBIBGRUXZSE-UQLHYTESSA-N. The full InChI is InChI=1S/7C14H25N3.2C14H24N2/c4*1-12-15-7-9-16(12)10-13-6-5-8-17(11-13)14(2,3)4;3*1-12-8-16(11-15-12)9-13-6-5-7-17(10-13)14(2,3)4;2*1-14(2,3)16-10-6-7-13(12-16)11-15-8-4-5-9-15/h4*7,9,13H,5-6,8,10-11H2,1-4H3;3*8,11,13H,5-7,9-10H2,1-4H3;2*4-5,8-9,13H,6-7,10-12H2,1-3H3/t9*13-/m110011011/s1.
What are the key properties of bis((3S)-1-tert-butyl-3-[(2-methylimidazol-1-yl)methyl]piperidine);bis((3R)-1-tert-butyl-3-[(2-methylimidazol-1-yl)methyl]piperidine);bis((3S)-1-tert-butyl-3-[(4-methylimidazol-1-yl)methyl]piperidine);(3R)-1-tert-butyl-3-[(4-methylimidazol-1-yl)methyl]piperidine;bis((3R)-1-tert-butyl-3-(pyrrol-1-ylmethyl)piperidine)?
bis((3S)-1-tert-butyl-3-[(2-methylimidazol-1-yl)methyl]piperidine);bis((3R)-1-tert-butyl-3-[(2-methylimidazol-1-yl)methyl]piperidine);bis((3S)-1-tert-butyl-3-[(4-methylimidazol-1-yl)methyl]piperidine);(3R)-1-tert-butyl-3-[(4-methylimidazol-1-yl)methyl]piperidine;bis((3R)-1-tert-butyl-3-(pyrrol-1-ylmethyl)piperidine) has a molecular weight of 2088.34 g/mol, XLogP of 24.91, 18 rotatable bonds, 0 hydrogen bond donors, and 25 hydrogen bond acceptors.
Where does this data come from?
All data for bis((3S)-1-tert-butyl-3-[(2-methylimidazol-1-yl)methyl]piperidine);bis((3R)-1-tert-butyl-3-[(2-methylimidazol-1-yl)methyl]piperidine);bis((3S)-1-tert-butyl-3-[(4-methylimidazol-1-yl)methyl]piperidine);(3R)-1-tert-butyl-3-[(4-methylimidazol-1-yl)methyl]piperidine;bis((3R)-1-tert-butyl-3-(pyrrol-1-ylmethyl)piperidine) is sourced from PubChem (CID 159613034), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).