bis(1-tert-butylpiperidine);1-tert-butylpyrrolidine;methane;1-methyl-4-(2-methylpropyl)piperazine;tris(1-(2-methylpropyl)piperidine);1-(2-methylpropyl)pyrrolidine;1-propan-2-ylpiperidine

C79H170N10 — CID 165081834

IUPACbis(1-tert-butylpiperidine);1-tert-butylpyrrolidine;methane;1-methyl-4-(2-methylpropyl)piperazine;tris(1-(2-methylpropyl)piperidine);1-(2-methylpropyl)pyrrolidine;1-propan-2-ylpiperidine
SMILESC.CC(C)(C)N1CCCC1.CC(C)(C)N1CCCCC1.CC(C)(C)N1CCCCC1.CC(C)CN1CCCC1.CC(C)CN1CCCCC1.CC(C)CN1CCCCC1.CC(C)CN1CCCCC1.CC(C)CN1CCN(C)CC1.CC(C)N1CCCCC1
InChIInChI=1S/C9H20N2.5C9H19N.3C8H17N.CH4/c1-9(2)8-11-6-4-10(3)5-7-11;2*1-9(2,3)10-7-5-4-6-8-10;3*1-9(2)8-10-6-4-3-5-7-10;1-8(2,3)9-6-4-5-7-9;1-8(2)7-9-5-3-4-6-9;1-8(2)9-6-4-3-5-7-9;/h9H,4-8H2,1-3H3;2*4-8H2,1-3H3;3*9H,3-8H2,1-2H3;4-7H2,1-3H3;2*8H,3-7H2,1-2H3;1H4
InChIKeyVGCKQYJXELQJSW-UHFFFAOYSA-N
MW1260.30 g/mol
LogP17.95
Rot. Bonds11

About bis(1-tert-butylpiperidine);1-tert-butylpyrrolidine;methane;1-methyl-4-(2-methylpropyl)piperazine;tris(1-(2-methylpropyl)piperidine);1-(2-methylpropyl)pyrrolidine;1-propan-2-ylpiperidine

bis(1-tert-butylpiperidine);1-tert-butylpyrrolidine;methane;1-methyl-4-(2-methylpropyl)piperazine;tris(1-(2-methylpropyl)piperidine);1-(2-methylpropyl)pyrrolidine;1-propan-2-ylpiperidine (PubChem CID 165081834) has the molecular formula C79H170N10 and a molecular weight of 1260.30 g/mol. Its IUPAC name is bis(1-tert-butylpiperidine);1-tert-butylpyrrolidine;methane;1-methyl-4-(2-methylpropyl)piperazine;tris(1-(2-methylpropyl)piperidine);1-(2-methylpropyl)pyrrolidine;1-propan-2-ylpiperidine.

Molecular Properties

Compound Namebis(1-tert-butylpiperidine);1-tert-butylpyrrolidine;methane;1-methyl-4-(2-methylpropyl)piperazine;tris(1-(2-methylpropyl)piperidine);1-(2-methylpropyl)pyrrolidine;1-propan-2-ylpiperidine
PubChem CID165081834
Molecular FormulaC79H170N10
Molecular Weight1260.30 g/mol
Exact Mass1259.36
IUPAC Namebis(1-tert-butylpiperidine);1-tert-butylpyrrolidine;methane;1-methyl-4-(2-methylpropyl)piperazine;tris(1-(2-methylpropyl)piperidine);1-(2-methylpropyl)pyrrolidine;1-propan-2-ylpiperidine
SMILESC.CC(C)(C)N1CCCC1.CC(C)(C)N1CCCCC1.CC(C)(C)N1CCCCC1.CC(C)CN1CCCC1.CC(C)CN1CCCCC1.CC(C)CN1CCCCC1.CC(C)CN1CCCCC1.CC(C)CN1CCN(C)CC1.CC(C)N1CCCCC1
InChIInChI=1S/C9H20N2.5C9H19N.3C8H17N.CH4/c1-9(2)8-11-6-4-10(3)5-7-11;2*1-9(2,3)10-7-5-4-6-8-10;3*1-9(2)8-10-6-4-3-5-7-10;1-8(2,3)9-6-4-5-7-9;1-8(2)7-9-5-3-4-6-9;1-8(2)9-6-4-3-5-7-9;/h9H,4-8H2,1-3H3;2*4-8H2,1-3H3;3*9H,3-8H2,1-2H3;4-7H2,1-3H3;2*8H,3-7H2,1-2H3;1H4
InChIKeyVGCKQYJXELQJSW-UHFFFAOYSA-N
XLogP17.95
TPSA32.40 Ų
H-Bond Donors
H-Bond Acceptors10
Rotatable Bonds11
Heavy Atoms89
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001260.30
LogP ≤ 517.95
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1010

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Frequently Asked Questions

What is the IUPAC name of bis(1-tert-butylpiperidine);1-tert-butylpyrrolidine;methane;1-methyl-4-(2-methylpropyl)piperazine;tris(1-(2-methylpropyl)piperidine);1-(2-methylpropyl)pyrrolidine;1-propan-2-ylpiperidine?
The IUPAC name of bis(1-tert-butylpiperidine);1-tert-butylpyrrolidine;methane;1-methyl-4-(2-methylpropyl)piperazine;tris(1-(2-methylpropyl)piperidine);1-(2-methylpropyl)pyrrolidine;1-propan-2-ylpiperidine (CID 165081834) is bis(1-tert-butylpiperidine);1-tert-butylpyrrolidine;methane;1-methyl-4-(2-methylpropyl)piperazine;tris(1-(2-methylpropyl)piperidine);1-(2-methylpropyl)pyrrolidine;1-propan-2-ylpiperidine.
What is the SMILES notation for bis(1-tert-butylpiperidine);1-tert-butylpyrrolidine;methane;1-methyl-4-(2-methylpropyl)piperazine;tris(1-(2-methylpropyl)piperidine);1-(2-methylpropyl)pyrrolidine;1-propan-2-ylpiperidine?
The canonical SMILES for bis(1-tert-butylpiperidine);1-tert-butylpyrrolidine;methane;1-methyl-4-(2-methylpropyl)piperazine;tris(1-(2-methylpropyl)piperidine);1-(2-methylpropyl)pyrrolidine;1-propan-2-ylpiperidine is C.CC(C)(C)N1CCCC1.CC(C)(C)N1CCCCC1.CC(C)(C)N1CCCCC1.CC(C)CN1CCCC1.CC(C)CN1CCCCC1.CC(C)CN1CCCCC1.CC(C)CN1CCCCC1.CC(C)CN1CCN(C)CC1.CC(C)N1CCCCC1.
What is the InChIKey of bis(1-tert-butylpiperidine);1-tert-butylpyrrolidine;methane;1-methyl-4-(2-methylpropyl)piperazine;tris(1-(2-methylpropyl)piperidine);1-(2-methylpropyl)pyrrolidine;1-propan-2-ylpiperidine?
The InChIKey is VGCKQYJXELQJSW-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H20N2.5C9H19N.3C8H17N.CH4/c1-9(2)8-11-6-4-10(3)5-7-11;2*1-9(2,3)10-7-5-4-6-8-10;3*1-9(2)8-10-6-4-3-5-7-10;1-8(2,3)9-6-4-5-7-9;1-8(2)7-9-5-3-4-6-9;1-8(2)9-6-4-3-5-7-9;/h9H,4-8H2,1-3H3;2*4-8H2,1-3H3;3*9H,3-8H2,1-2H3;4-7H2,1-3H3;2*8H,3-7H2,1-2H3;1H4.
What are the key properties of bis(1-tert-butylpiperidine);1-tert-butylpyrrolidine;methane;1-methyl-4-(2-methylpropyl)piperazine;tris(1-(2-methylpropyl)piperidine);1-(2-methylpropyl)pyrrolidine;1-propan-2-ylpiperidine?
bis(1-tert-butylpiperidine);1-tert-butylpyrrolidine;methane;1-methyl-4-(2-methylpropyl)piperazine;tris(1-(2-methylpropyl)piperidine);1-(2-methylpropyl)pyrrolidine;1-propan-2-ylpiperidine has a molecular weight of 1260.30 g/mol, XLogP of 17.95, 11 rotatable bonds, 0 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for bis(1-tert-butylpiperidine);1-tert-butylpyrrolidine;methane;1-methyl-4-(2-methylpropyl)piperazine;tris(1-(2-methylpropyl)piperidine);1-(2-methylpropyl)pyrrolidine;1-propan-2-ylpiperidine is sourced from PubChem (CID 165081834), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).