bis((3S,4R)-1-cyclobutyl-4-ethyl-3-propan-2-ylpiperidine);bis((3R,4R)-1-cyclobutyl-4-ethyl-3-propan-2-ylpiperidine);(3S,4R)-1-cyclobutyl-4-(3-methylbutyl)-3-propan-2-ylpiperidine;(3R,4R)-1-cyclobutyl-4-(3-methylbutyl)-3-propan-2-ylpiperidine;bis((3S,4R)-1-cyclobutyl-3-propan-2-yl-4-propylpiperidine);bis((3R,4R)-1-cyclobutyl-3-propan-2-yl-4-propylpiperidine);(3S,4R)-4-methyl-3-propan-2-yl-1-propylpiperidine;(3R,4R)-4-methyl-3-propan-2-yl-1-propylpiperidine

C174H340N12 — CID 158633136

IUPACbis((3S,4R)-1-cyclobutyl-4-ethyl-3-propan-2-ylpiperidine);bis((3R,4R)-1-cyclobutyl-4-ethyl-3-propan-2-ylpiperidine);(3S,4R)-1-cyclobutyl-4-(3-methylbutyl)-3-propan-2-ylpiperidine;(3R,4R)-1-cyclobutyl-4-(3-methylbutyl)-3-propan-2-ylpiperidine;bis((3S,4R)-1-cyclobutyl-3-propan-2-yl-4-propylpiperidine);bis((3R,4R)-1-cyclobutyl-3-propan-2-yl-4-propylpiperidine);(3S,4R)-4-methyl-3-propan-2-yl-1-propylpiperidine;(3R,4R)-4-methyl-3-propan-2-yl-1-propylpiperidine
SMILESCC(C)CC[C@@H]1CCN(C2CCC2)C[C@@H]1C(C)C.CC(C)CC[C@@H]1CCN(C2CCC2)C[C@H]1C(C)C.CCCN1CC[C@@H](C)[C@@H](C(C)C)C1.CCCN1CC[C@@H](C)[C@H](C(C)C)C1.CCC[C@@H]1CCN(C2CCC2)CC1C(C)C.CCC[C@@H]1CCN(C2CCC2)CC1C(C)C.CCC[C@@H]1CCN(C2CCC2)C[C@@H]1C(C)C.CCC[C@@H]1CCN(C2CCC2)C[C@@H]1C(C)C.CC[C@@H]1CCN(C2CCC2)C[C@@H]1C(C)C.CC[C@@H]1CCN(C2CCC2)C[C@@H]1C(C)C.CC[C@@H]1CCN(C2CCC2)C[C@H]1C(C)C.CC[C@@H]1CCN(C2CCC2)C[C@H]1C(C)C
InChIInChI=1S/2C17H33N.4C15H29N.4C14H27N.2C12H25N/c2*1-13(2)8-9-15-10-11-18(16-6-5-7-16)12-17(15)14(3)4;4*1-4-6-13-9-10-16(14-7-5-8-14)11-15(13)12(2)3;4*1-4-12-8-9-15(13-6-5-7-13)10-14(12)11(2)3;2*1-5-7-13-8-6-11(4)12(9-13)10(2)3/h2*13-17H,5-12H2,1-4H3;4*12-15H,4-11H2,1-3H3;4*11-14H,4-10H2,1-3H3;2*10-12H,5-9H2,1-4H3/t15-,17+;15-,17-;2*13-,15?;2*13-,15-;2*12-,14+;2*12-,14-;11-,12+;11-,12-/m111111111111/s1
InChIKeyHZLBRQDOCOYLCR-VYHSFGRGSA-N
MW2600.72 g/mol
LogP45.06
Rot. Bonds44

About bis((3S,4R)-1-cyclobutyl-4-ethyl-3-propan-2-ylpiperidine);bis((3R,4R)-1-cyclobutyl-4-ethyl-3-propan-2-ylpiperidine);(3S,4R)-1-cyclobutyl-4-(3-methylbutyl)-3-propan-2-ylpiperidine;(3R,4R)-1-cyclobutyl-4-(3-methylbutyl)-3-propan-2-ylpiperidine;bis((3S,4R)-1-cyclobutyl-3-propan-2-yl-4-propylpiperidine);bis((3R,4R)-1-cyclobutyl-3-propan-2-yl-4-propylpiperidine);(3S,4R)-4-methyl-3-propan-2-yl-1-propylpiperidine;(3R,4R)-4-methyl-3-propan-2-yl-1-propylpiperidine

bis((3S,4R)-1-cyclobutyl-4-ethyl-3-propan-2-ylpiperidine);bis((3R,4R)-1-cyclobutyl-4-ethyl-3-propan-2-ylpiperidine);(3S,4R)-1-cyclobutyl-4-(3-methylbutyl)-3-propan-2-ylpiperidine;(3R,4R)-1-cyclobutyl-4-(3-methylbutyl)-3-propan-2-ylpiperidine;bis((3S,4R)-1-cyclobutyl-3-propan-2-yl-4-propylpiperidine);bis((3R,4R)-1-cyclobutyl-3-propan-2-yl-4-propylpiperidine);(3S,4R)-4-methyl-3-propan-2-yl-1-propylpiperidine;(3R,4R)-4-methyl-3-propan-2-yl-1-propylpiperidine (PubChem CID 158633136) has the molecular formula C174H340N12 and a molecular weight of 2600.72 g/mol. Its IUPAC name is bis((3S,4R)-1-cyclobutyl-4-ethyl-3-propan-2-ylpiperidine);bis((3R,4R)-1-cyclobutyl-4-ethyl-3-propan-2-ylpiperidine);(3S,4R)-1-cyclobutyl-4-(3-methylbutyl)-3-propan-2-ylpiperidine;(3R,4R)-1-cyclobutyl-4-(3-methylbutyl)-3-propan-2-ylpiperidine;bis((3S,4R)-1-cyclobutyl-3-propan-2-yl-4-propylpiperidine);bis((3R,4R)-1-cyclobutyl-3-propan-2-yl-4-propylpiperidine);(3S,4R)-4-methyl-3-propan-2-yl-1-propylpiperidine;(3R,4R)-4-methyl-3-propan-2-yl-1-propylpiperidine.

Molecular Properties

Compound Namebis((3S,4R)-1-cyclobutyl-4-ethyl-3-propan-2-ylpiperidine);bis((3R,4R)-1-cyclobutyl-4-ethyl-3-propan-2-ylpiperidine);(3S,4R)-1-cyclobutyl-4-(3-methylbutyl)-3-propan-2-ylpiperidine;(3R,4R)-1-cyclobutyl-4-(3-methylbutyl)-3-propan-2-ylpiperidine;bis((3S,4R)-1-cyclobutyl-3-propan-2-yl-4-propylpiperidine);bis((3R,4R)-1-cyclobutyl-3-propan-2-yl-4-propylpiperidine);(3S,4R)-4-methyl-3-propan-2-yl-1-propylpiperidine;(3R,4R)-4-methyl-3-propan-2-yl-1-propylpiperidine
PubChem CID158633136
Molecular FormulaC174H340N12
Molecular Weight2600.72 g/mol
Exact Mass2598.70
IUPAC Namebis((3S,4R)-1-cyclobutyl-4-ethyl-3-propan-2-ylpiperidine);bis((3R,4R)-1-cyclobutyl-4-ethyl-3-propan-2-ylpiperidine);(3S,4R)-1-cyclobutyl-4-(3-methylbutyl)-3-propan-2-ylpiperidine;(3R,4R)-1-cyclobutyl-4-(3-methylbutyl)-3-propan-2-ylpiperidine;bis((3S,4R)-1-cyclobutyl-3-propan-2-yl-4-propylpiperidine);bis((3R,4R)-1-cyclobutyl-3-propan-2-yl-4-propylpiperidine);(3S,4R)-4-methyl-3-propan-2-yl-1-propylpiperidine;(3R,4R)-4-methyl-3-propan-2-yl-1-propylpiperidine
SMILESCC(C)CC[C@@H]1CCN(C2CCC2)C[C@@H]1C(C)C.CC(C)CC[C@@H]1CCN(C2CCC2)C[C@H]1C(C)C.CCCN1CC[C@@H](C)[C@@H](C(C)C)C1.CCCN1CC[C@@H](C)[C@H](C(C)C)C1.CCC[C@@H]1CCN(C2CCC2)CC1C(C)C.CCC[C@@H]1CCN(C2CCC2)CC1C(C)C.CCC[C@@H]1CCN(C2CCC2)C[C@@H]1C(C)C.CCC[C@@H]1CCN(C2CCC2)C[C@@H]1C(C)C.CC[C@@H]1CCN(C2CCC2)C[C@@H]1C(C)C.CC[C@@H]1CCN(C2CCC2)C[C@@H]1C(C)C.CC[C@@H]1CCN(C2CCC2)C[C@H]1C(C)C.CC[C@@H]1CCN(C2CCC2)C[C@H]1C(C)C
InChIInChI=1S/2C17H33N.4C15H29N.4C14H27N.2C12H25N/c2*1-13(2)8-9-15-10-11-18(16-6-5-7-16)12-17(15)14(3)4;4*1-4-6-13-9-10-16(14-7-5-8-14)11-15(13)12(2)3;4*1-4-12-8-9-15(13-6-5-7-13)10-14(12)11(2)3;2*1-5-7-13-8-6-11(4)12(9-13)10(2)3/h2*13-17H,5-12H2,1-4H3;4*12-15H,4-11H2,1-3H3;4*11-14H,4-10H2,1-3H3;2*10-12H,5-9H2,1-4H3/t15-,17+;15-,17-;2*13-,15?;2*13-,15-;2*12-,14+;2*12-,14-;11-,12+;11-,12-/m111111111111/s1
InChIKeyHZLBRQDOCOYLCR-VYHSFGRGSA-N
XLogP45.06
TPSA38.88 Ų
H-Bond Donors
H-Bond Acceptors12
Rotatable Bonds44
Heavy Atoms186
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5002600.72
LogP ≤ 545.06
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1012

Analyze bis((3S,4R)-1-cyclobutyl-4-ethyl-3-propan-2-ylpiperidine);bis((3R,4R)-1-cyclobutyl-4-ethyl-3-propan-2-ylpiperidine);(3S,4R)-1-cyclobutyl-4-(3-methylbutyl)-3-propan-2-ylpiperidine;(3R,4R)-1-cyclobutyl-4-(3-methylbutyl)-3-propan-2-ylpiperidine;bis((3S,4R)-1-cyclobutyl-3-propan-2-yl-4-propylpiperidine);bis((3R,4R)-1-cyclobutyl-3-propan-2-yl-4-propylpiperidine);(3S,4R)-4-methyl-3-propan-2-yl-1-propylpiperidine;(3R,4R)-4-methyl-3-propan-2-yl-1-propylpiperidine with MolForge

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Frequently Asked Questions

What is the IUPAC name of bis((3S,4R)-1-cyclobutyl-4-ethyl-3-propan-2-ylpiperidine);bis((3R,4R)-1-cyclobutyl-4-ethyl-3-propan-2-ylpiperidine);(3S,4R)-1-cyclobutyl-4-(3-methylbutyl)-3-propan-2-ylpiperidine;(3R,4R)-1-cyclobutyl-4-(3-methylbutyl)-3-propan-2-ylpiperidine;bis((3S,4R)-1-cyclobutyl-3-propan-2-yl-4-propylpiperidine);bis((3R,4R)-1-cyclobutyl-3-propan-2-yl-4-propylpiperidine);(3S,4R)-4-methyl-3-propan-2-yl-1-propylpiperidine;(3R,4R)-4-methyl-3-propan-2-yl-1-propylpiperidine?
The IUPAC name of bis((3S,4R)-1-cyclobutyl-4-ethyl-3-propan-2-ylpiperidine);bis((3R,4R)-1-cyclobutyl-4-ethyl-3-propan-2-ylpiperidine);(3S,4R)-1-cyclobutyl-4-(3-methylbutyl)-3-propan-2-ylpiperidine;(3R,4R)-1-cyclobutyl-4-(3-methylbutyl)-3-propan-2-ylpiperidine;bis((3S,4R)-1-cyclobutyl-3-propan-2-yl-4-propylpiperidine);bis((3R,4R)-1-cyclobutyl-3-propan-2-yl-4-propylpiperidine);(3S,4R)-4-methyl-3-propan-2-yl-1-propylpiperidine;(3R,4R)-4-methyl-3-propan-2-yl-1-propylpiperidine (CID 158633136) is bis((3S,4R)-1-cyclobutyl-4-ethyl-3-propan-2-ylpiperidine);bis((3R,4R)-1-cyclobutyl-4-ethyl-3-propan-2-ylpiperidine);(3S,4R)-1-cyclobutyl-4-(3-methylbutyl)-3-propan-2-ylpiperidine;(3R,4R)-1-cyclobutyl-4-(3-methylbutyl)-3-propan-2-ylpiperidine;bis((3S,4R)-1-cyclobutyl-3-propan-2-yl-4-propylpiperidine);bis((3R,4R)-1-cyclobutyl-3-propan-2-yl-4-propylpiperidine);(3S,4R)-4-methyl-3-propan-2-yl-1-propylpiperidine;(3R,4R)-4-methyl-3-propan-2-yl-1-propylpiperidine.
What is the SMILES notation for bis((3S,4R)-1-cyclobutyl-4-ethyl-3-propan-2-ylpiperidine);bis((3R,4R)-1-cyclobutyl-4-ethyl-3-propan-2-ylpiperidine);(3S,4R)-1-cyclobutyl-4-(3-methylbutyl)-3-propan-2-ylpiperidine;(3R,4R)-1-cyclobutyl-4-(3-methylbutyl)-3-propan-2-ylpiperidine;bis((3S,4R)-1-cyclobutyl-3-propan-2-yl-4-propylpiperidine);bis((3R,4R)-1-cyclobutyl-3-propan-2-yl-4-propylpiperidine);(3S,4R)-4-methyl-3-propan-2-yl-1-propylpiperidine;(3R,4R)-4-methyl-3-propan-2-yl-1-propylpiperidine?
The canonical SMILES for bis((3S,4R)-1-cyclobutyl-4-ethyl-3-propan-2-ylpiperidine);bis((3R,4R)-1-cyclobutyl-4-ethyl-3-propan-2-ylpiperidine);(3S,4R)-1-cyclobutyl-4-(3-methylbutyl)-3-propan-2-ylpiperidine;(3R,4R)-1-cyclobutyl-4-(3-methylbutyl)-3-propan-2-ylpiperidine;bis((3S,4R)-1-cyclobutyl-3-propan-2-yl-4-propylpiperidine);bis((3R,4R)-1-cyclobutyl-3-propan-2-yl-4-propylpiperidine);(3S,4R)-4-methyl-3-propan-2-yl-1-propylpiperidine;(3R,4R)-4-methyl-3-propan-2-yl-1-propylpiperidine is CC(C)CC[C@@H]1CCN(C2CCC2)C[C@@H]1C(C)C.CC(C)CC[C@@H]1CCN(C2CCC2)C[C@H]1C(C)C.CCCN1CC[C@@H](C)[C@@H](C(C)C)C1.CCCN1CC[C@@H](C)[C@H](C(C)C)C1.CCC[C@@H]1CCN(C2CCC2)CC1C(C)C.CCC[C@@H]1CCN(C2CCC2)CC1C(C)C.CCC[C@@H]1CCN(C2CCC2)C[C@@H]1C(C)C.CCC[C@@H]1CCN(C2CCC2)C[C@@H]1C(C)C.CC[C@@H]1CCN(C2CCC2)C[C@@H]1C(C)C.CC[C@@H]1CCN(C2CCC2)C[C@@H]1C(C)C.CC[C@@H]1CCN(C2CCC2)C[C@H]1C(C)C.CC[C@@H]1CCN(C2CCC2)C[C@H]1C(C)C.
What is the InChIKey of bis((3S,4R)-1-cyclobutyl-4-ethyl-3-propan-2-ylpiperidine);bis((3R,4R)-1-cyclobutyl-4-ethyl-3-propan-2-ylpiperidine);(3S,4R)-1-cyclobutyl-4-(3-methylbutyl)-3-propan-2-ylpiperidine;(3R,4R)-1-cyclobutyl-4-(3-methylbutyl)-3-propan-2-ylpiperidine;bis((3S,4R)-1-cyclobutyl-3-propan-2-yl-4-propylpiperidine);bis((3R,4R)-1-cyclobutyl-3-propan-2-yl-4-propylpiperidine);(3S,4R)-4-methyl-3-propan-2-yl-1-propylpiperidine;(3R,4R)-4-methyl-3-propan-2-yl-1-propylpiperidine?
The InChIKey is HZLBRQDOCOYLCR-VYHSFGRGSA-N. The full InChI is InChI=1S/2C17H33N.4C15H29N.4C14H27N.2C12H25N/c2*1-13(2)8-9-15-10-11-18(16-6-5-7-16)12-17(15)14(3)4;4*1-4-6-13-9-10-16(14-7-5-8-14)11-15(13)12(2)3;4*1-4-12-8-9-15(13-6-5-7-13)10-14(12)11(2)3;2*1-5-7-13-8-6-11(4)12(9-13)10(2)3/h2*13-17H,5-12H2,1-4H3;4*12-15H,4-11H2,1-3H3;4*11-14H,4-10H2,1-3H3;2*10-12H,5-9H2,1-4H3/t15-,17+;15-,17-;2*13-,15?;2*13-,15-;2*12-,14+;2*12-,14-;11-,12+;11-,12-/m111111111111/s1.
What are the key properties of bis((3S,4R)-1-cyclobutyl-4-ethyl-3-propan-2-ylpiperidine);bis((3R,4R)-1-cyclobutyl-4-ethyl-3-propan-2-ylpiperidine);(3S,4R)-1-cyclobutyl-4-(3-methylbutyl)-3-propan-2-ylpiperidine;(3R,4R)-1-cyclobutyl-4-(3-methylbutyl)-3-propan-2-ylpiperidine;bis((3S,4R)-1-cyclobutyl-3-propan-2-yl-4-propylpiperidine);bis((3R,4R)-1-cyclobutyl-3-propan-2-yl-4-propylpiperidine);(3S,4R)-4-methyl-3-propan-2-yl-1-propylpiperidine;(3R,4R)-4-methyl-3-propan-2-yl-1-propylpiperidine?
bis((3S,4R)-1-cyclobutyl-4-ethyl-3-propan-2-ylpiperidine);bis((3R,4R)-1-cyclobutyl-4-ethyl-3-propan-2-ylpiperidine);(3S,4R)-1-cyclobutyl-4-(3-methylbutyl)-3-propan-2-ylpiperidine;(3R,4R)-1-cyclobutyl-4-(3-methylbutyl)-3-propan-2-ylpiperidine;bis((3S,4R)-1-cyclobutyl-3-propan-2-yl-4-propylpiperidine);bis((3R,4R)-1-cyclobutyl-3-propan-2-yl-4-propylpiperidine);(3S,4R)-4-methyl-3-propan-2-yl-1-propylpiperidine;(3R,4R)-4-methyl-3-propan-2-yl-1-propylpiperidine has a molecular weight of 2600.72 g/mol, XLogP of 45.06, 44 rotatable bonds, 0 hydrogen bond donors, and 12 hydrogen bond acceptors.
Where does this data come from?
All data for bis((3S,4R)-1-cyclobutyl-4-ethyl-3-propan-2-ylpiperidine);bis((3R,4R)-1-cyclobutyl-4-ethyl-3-propan-2-ylpiperidine);(3S,4R)-1-cyclobutyl-4-(3-methylbutyl)-3-propan-2-ylpiperidine;(3R,4R)-1-cyclobutyl-4-(3-methylbutyl)-3-propan-2-ylpiperidine;bis((3S,4R)-1-cyclobutyl-3-propan-2-yl-4-propylpiperidine);bis((3R,4R)-1-cyclobutyl-3-propan-2-yl-4-propylpiperidine);(3S,4R)-4-methyl-3-propan-2-yl-1-propylpiperidine;(3R,4R)-4-methyl-3-propan-2-yl-1-propylpiperidine is sourced from PubChem (CID 158633136), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).