bis((3S)-1-tert-butyl-3-[(4-ethylimidazol-1-yl)methyl]piperidine);(3R)-1-tert-butyl-3-[(4-ethylimidazol-1-yl)methyl]piperidine;bis((3S)-1-tert-butyl-3-[(4-methylimidazol-1-yl)methyl]piperidine);bis((3R)-1-tert-butyl-3-[(4-methylimidazol-1-yl)methyl]piperidine);methane

C108H209N21 — CID 157298172

IUPACbis((3S)-1-tert-butyl-3-[(4-ethylimidazol-1-yl)methyl]piperidine);(3R)-1-tert-butyl-3-[(4-ethylimidazol-1-yl)methyl]piperidine;bis((3S)-1-tert-butyl-3-[(4-methylimidazol-1-yl)methyl]piperidine);bis((3R)-1-tert-butyl-3-[(4-methylimidazol-1-yl)methyl]piperidine);methane
SMILESC.C.C.C.C.C.C.CCc1cn(C[C@@H]2CCCN(C(C)(C)C)C2)cn1.CCc1cn(C[C@H]2CCCN(C(C)(C)C)C2)cn1.CCc1cn(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.Cc1cn(C[C@H]2CCCN(C(C)(C)C)C2)cn1.Cc1cn(C[C@H]2CCCN(C(C)(C)C)C2)cn1
InChIInChI=1S/3C15H27N3.4C14H25N3.7CH4/c3*1-5-14-11-17(12-16-14)9-13-7-6-8-18(10-13)15(2,3)4;4*1-12-8-16(11-15-12)9-13-6-5-7-17(10-13)14(2,3)4;;;;;;;/h3*11-13H,5-10H2,1-4H3;4*8,11,13H,5-7,9-10H2,1-4H3;7*1H4/t7*13-;;;;;;;/m1101100......./s1
InChIKeyBBOUWFIMNYMSKS-IJVMIVTDSA-N
MW1802.01 g/mol
LogP24.13
Rot. Bonds17

About bis((3S)-1-tert-butyl-3-[(4-ethylimidazol-1-yl)methyl]piperidine);(3R)-1-tert-butyl-3-[(4-ethylimidazol-1-yl)methyl]piperidine;bis((3S)-1-tert-butyl-3-[(4-methylimidazol-1-yl)methyl]piperidine);bis((3R)-1-tert-butyl-3-[(4-methylimidazol-1-yl)methyl]piperidine);methane

bis((3S)-1-tert-butyl-3-[(4-ethylimidazol-1-yl)methyl]piperidine);(3R)-1-tert-butyl-3-[(4-ethylimidazol-1-yl)methyl]piperidine;bis((3S)-1-tert-butyl-3-[(4-methylimidazol-1-yl)methyl]piperidine);bis((3R)-1-tert-butyl-3-[(4-methylimidazol-1-yl)methyl]piperidine);methane (PubChem CID 157298172) has the molecular formula C108H209N21 and a molecular weight of 1802.01 g/mol. Its IUPAC name is bis((3S)-1-tert-butyl-3-[(4-ethylimidazol-1-yl)methyl]piperidine);(3R)-1-tert-butyl-3-[(4-ethylimidazol-1-yl)methyl]piperidine;bis((3S)-1-tert-butyl-3-[(4-methylimidazol-1-yl)methyl]piperidine);bis((3R)-1-tert-butyl-3-[(4-methylimidazol-1-yl)methyl]piperidine);methane.

Molecular Properties

Compound Namebis((3S)-1-tert-butyl-3-[(4-ethylimidazol-1-yl)methyl]piperidine);(3R)-1-tert-butyl-3-[(4-ethylimidazol-1-yl)methyl]piperidine;bis((3S)-1-tert-butyl-3-[(4-methylimidazol-1-yl)methyl]piperidine);bis((3R)-1-tert-butyl-3-[(4-methylimidazol-1-yl)methyl]piperidine);methane
PubChem CID157298172
Molecular FormulaC108H209N21
Molecular Weight1802.01 g/mol
Exact Mass1800.70
IUPAC Namebis((3S)-1-tert-butyl-3-[(4-ethylimidazol-1-yl)methyl]piperidine);(3R)-1-tert-butyl-3-[(4-ethylimidazol-1-yl)methyl]piperidine;bis((3S)-1-tert-butyl-3-[(4-methylimidazol-1-yl)methyl]piperidine);bis((3R)-1-tert-butyl-3-[(4-methylimidazol-1-yl)methyl]piperidine);methane
SMILESC.C.C.C.C.C.C.CCc1cn(C[C@@H]2CCCN(C(C)(C)C)C2)cn1.CCc1cn(C[C@H]2CCCN(C(C)(C)C)C2)cn1.CCc1cn(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.Cc1cn(C[C@H]2CCCN(C(C)(C)C)C2)cn1.Cc1cn(C[C@H]2CCCN(C(C)(C)C)C2)cn1
InChIInChI=1S/3C15H27N3.4C14H25N3.7CH4/c3*1-5-14-11-17(12-16-14)9-13-7-6-8-18(10-13)15(2,3)4;4*1-12-8-16(11-15-12)9-13-6-5-7-17(10-13)14(2,3)4;;;;;;;/h3*11-13H,5-10H2,1-4H3;4*8,11,13H,5-7,9-10H2,1-4H3;7*1H4/t7*13-;;;;;;;/m1101100......./s1
InChIKeyBBOUWFIMNYMSKS-IJVMIVTDSA-N
XLogP24.13
TPSA147.42 Ų
H-Bond Donors
H-Bond Acceptors21
Rotatable Bonds17
Heavy Atoms129
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001802.01
LogP ≤ 524.13
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1021

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

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Frequently Asked Questions

What is the IUPAC name of bis((3S)-1-tert-butyl-3-[(4-ethylimidazol-1-yl)methyl]piperidine);(3R)-1-tert-butyl-3-[(4-ethylimidazol-1-yl)methyl]piperidine;bis((3S)-1-tert-butyl-3-[(4-methylimidazol-1-yl)methyl]piperidine);bis((3R)-1-tert-butyl-3-[(4-methylimidazol-1-yl)methyl]piperidine);methane?
The IUPAC name of bis((3S)-1-tert-butyl-3-[(4-ethylimidazol-1-yl)methyl]piperidine);(3R)-1-tert-butyl-3-[(4-ethylimidazol-1-yl)methyl]piperidine;bis((3S)-1-tert-butyl-3-[(4-methylimidazol-1-yl)methyl]piperidine);bis((3R)-1-tert-butyl-3-[(4-methylimidazol-1-yl)methyl]piperidine);methane (CID 157298172) is bis((3S)-1-tert-butyl-3-[(4-ethylimidazol-1-yl)methyl]piperidine);(3R)-1-tert-butyl-3-[(4-ethylimidazol-1-yl)methyl]piperidine;bis((3S)-1-tert-butyl-3-[(4-methylimidazol-1-yl)methyl]piperidine);bis((3R)-1-tert-butyl-3-[(4-methylimidazol-1-yl)methyl]piperidine);methane.
What is the SMILES notation for bis((3S)-1-tert-butyl-3-[(4-ethylimidazol-1-yl)methyl]piperidine);(3R)-1-tert-butyl-3-[(4-ethylimidazol-1-yl)methyl]piperidine;bis((3S)-1-tert-butyl-3-[(4-methylimidazol-1-yl)methyl]piperidine);bis((3R)-1-tert-butyl-3-[(4-methylimidazol-1-yl)methyl]piperidine);methane?
The canonical SMILES for bis((3S)-1-tert-butyl-3-[(4-ethylimidazol-1-yl)methyl]piperidine);(3R)-1-tert-butyl-3-[(4-ethylimidazol-1-yl)methyl]piperidine;bis((3S)-1-tert-butyl-3-[(4-methylimidazol-1-yl)methyl]piperidine);bis((3R)-1-tert-butyl-3-[(4-methylimidazol-1-yl)methyl]piperidine);methane is C.C.C.C.C.C.C.CCc1cn(C[C@@H]2CCCN(C(C)(C)C)C2)cn1.CCc1cn(C[C@H]2CCCN(C(C)(C)C)C2)cn1.CCc1cn(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.Cc1cn(C[C@H]2CCCN(C(C)(C)C)C2)cn1.Cc1cn(C[C@H]2CCCN(C(C)(C)C)C2)cn1.
What is the InChIKey of bis((3S)-1-tert-butyl-3-[(4-ethylimidazol-1-yl)methyl]piperidine);(3R)-1-tert-butyl-3-[(4-ethylimidazol-1-yl)methyl]piperidine;bis((3S)-1-tert-butyl-3-[(4-methylimidazol-1-yl)methyl]piperidine);bis((3R)-1-tert-butyl-3-[(4-methylimidazol-1-yl)methyl]piperidine);methane?
The InChIKey is BBOUWFIMNYMSKS-IJVMIVTDSA-N. The full InChI is InChI=1S/3C15H27N3.4C14H25N3.7CH4/c3*1-5-14-11-17(12-16-14)9-13-7-6-8-18(10-13)15(2,3)4;4*1-12-8-16(11-15-12)9-13-6-5-7-17(10-13)14(2,3)4;;;;;;;/h3*11-13H,5-10H2,1-4H3;4*8,11,13H,5-7,9-10H2,1-4H3;7*1H4/t7*13-;;;;;;;/m1101100......./s1.
What are the key properties of bis((3S)-1-tert-butyl-3-[(4-ethylimidazol-1-yl)methyl]piperidine);(3R)-1-tert-butyl-3-[(4-ethylimidazol-1-yl)methyl]piperidine;bis((3S)-1-tert-butyl-3-[(4-methylimidazol-1-yl)methyl]piperidine);bis((3R)-1-tert-butyl-3-[(4-methylimidazol-1-yl)methyl]piperidine);methane?
bis((3S)-1-tert-butyl-3-[(4-ethylimidazol-1-yl)methyl]piperidine);(3R)-1-tert-butyl-3-[(4-ethylimidazol-1-yl)methyl]piperidine;bis((3S)-1-tert-butyl-3-[(4-methylimidazol-1-yl)methyl]piperidine);bis((3R)-1-tert-butyl-3-[(4-methylimidazol-1-yl)methyl]piperidine);methane has a molecular weight of 1802.01 g/mol, XLogP of 24.13, 17 rotatable bonds, 0 hydrogen bond donors, and 21 hydrogen bond acceptors.
Where does this data come from?
All data for bis((3S)-1-tert-butyl-3-[(4-ethylimidazol-1-yl)methyl]piperidine);(3R)-1-tert-butyl-3-[(4-ethylimidazol-1-yl)methyl]piperidine;bis((3S)-1-tert-butyl-3-[(4-methylimidazol-1-yl)methyl]piperidine);bis((3R)-1-tert-butyl-3-[(4-methylimidazol-1-yl)methyl]piperidine);methane is sourced from PubChem (CID 157298172), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).