2-tert-butylpiperidine;1,2-ditert-butylazetidine;1,2-ditert-butylpiperidine;bis(1,2-ditert-butylpyrrolidine);1,3-ditert-butylpyrrolidine;2-methylpropane;1,2,2-tritert-butylpyrrolidine;1,2,4-tritert-butylpyrrolidine

C105H220N8 — CID 163632851

IUPAC2-tert-butylpiperidine;1,2-ditert-butylazetidine;1,2-ditert-butylpiperidine;bis(1,2-ditert-butylpyrrolidine);1,3-ditert-butylpyrrolidine;2-methylpropane;1,2,2-tritert-butylpyrrolidine;1,2,4-tritert-butylpyrrolidine
SMILESCC(C)(C)C1CC(C(C)(C)C)N(C(C)(C)C)C1.CC(C)(C)C1CCCCN1.CC(C)(C)C1CCCCN1C(C)(C)C.CC(C)(C)C1CCCN1C(C)(C)C.CC(C)(C)C1CCCN1C(C)(C)C.CC(C)(C)C1CCN(C(C)(C)C)C1.CC(C)(C)C1CCN1C(C)(C)C.CC(C)(C)N1CCCC1(C(C)(C)C)C(C)(C)C.CC(C)C
InChIInChI=1S/2C16H33N.C13H27N.3C12H25N.C11H23N.C9H19N.C4H10/c1-14(2,3)12-10-13(15(4,5)6)17(11-12)16(7,8)9;1-13(2,3)16(14(4,5)6)11-10-12-17(16)15(7,8)9;1-12(2,3)11-9-7-8-10-14(11)13(4,5)6;1-11(2,3)10-7-8-13(9-10)12(4,5)6;2*1-11(2,3)10-8-7-9-13(10)12(4,5)6;1-10(2,3)9-7-8-12(9)11(4,5)6;1-9(2,3)8-6-4-5-7-10-8;1-4(2)3/h12-13H,10-11H2,1-9H3;10-12H2,1-9H3;11H,7-10H2,1-6H3;3*10H,7-9H2,1-6H3;9H,7-8H2,1-6H3;8,10H,4-7H2,1-3H3;4H,1-3H3
InChIKeyHXPQCXAFYJWBPJ-UHFFFAOYSA-N
MW1594.97 g/mol
LogP29.45
Rot. Bonds

About 2-tert-butylpiperidine;1,2-ditert-butylazetidine;1,2-ditert-butylpiperidine;bis(1,2-ditert-butylpyrrolidine);1,3-ditert-butylpyrrolidine;2-methylpropane;1,2,2-tritert-butylpyrrolidine;1,2,4-tritert-butylpyrrolidine

2-tert-butylpiperidine;1,2-ditert-butylazetidine;1,2-ditert-butylpiperidine;bis(1,2-ditert-butylpyrrolidine);1,3-ditert-butylpyrrolidine;2-methylpropane;1,2,2-tritert-butylpyrrolidine;1,2,4-tritert-butylpyrrolidine (PubChem CID 163632851) has the molecular formula C105H220N8 and a molecular weight of 1594.97 g/mol. Its IUPAC name is 2-tert-butylpiperidine;1,2-ditert-butylazetidine;1,2-ditert-butylpiperidine;bis(1,2-ditert-butylpyrrolidine);1,3-ditert-butylpyrrolidine;2-methylpropane;1,2,2-tritert-butylpyrrolidine;1,2,4-tritert-butylpyrrolidine.

Molecular Properties

Compound Name2-tert-butylpiperidine;1,2-ditert-butylazetidine;1,2-ditert-butylpiperidine;bis(1,2-ditert-butylpyrrolidine);1,3-ditert-butylpyrrolidine;2-methylpropane;1,2,2-tritert-butylpyrrolidine;1,2,4-tritert-butylpyrrolidine
PubChem CID163632851
Molecular FormulaC105H220N8
Molecular Weight1594.97 g/mol
Exact Mass1593.75
IUPAC Name2-tert-butylpiperidine;1,2-ditert-butylazetidine;1,2-ditert-butylpiperidine;bis(1,2-ditert-butylpyrrolidine);1,3-ditert-butylpyrrolidine;2-methylpropane;1,2,2-tritert-butylpyrrolidine;1,2,4-tritert-butylpyrrolidine
SMILESCC(C)(C)C1CC(C(C)(C)C)N(C(C)(C)C)C1.CC(C)(C)C1CCCCN1.CC(C)(C)C1CCCCN1C(C)(C)C.CC(C)(C)C1CCCN1C(C)(C)C.CC(C)(C)C1CCCN1C(C)(C)C.CC(C)(C)C1CCN(C(C)(C)C)C1.CC(C)(C)C1CCN1C(C)(C)C.CC(C)(C)N1CCCC1(C(C)(C)C)C(C)(C)C.CC(C)C
InChIInChI=1S/2C16H33N.C13H27N.3C12H25N.C11H23N.C9H19N.C4H10/c1-14(2,3)12-10-13(15(4,5)6)17(11-12)16(7,8)9;1-13(2,3)16(14(4,5)6)11-10-12-17(16)15(7,8)9;1-12(2,3)11-9-7-8-10-14(11)13(4,5)6;1-11(2,3)10-7-8-13(9-10)12(4,5)6;2*1-11(2,3)10-8-7-9-13(10)12(4,5)6;1-10(2,3)9-7-8-12(9)11(4,5)6;1-9(2,3)8-6-4-5-7-10-8;1-4(2)3/h12-13H,10-11H2,1-9H3;10-12H2,1-9H3;11H,7-10H2,1-6H3;3*10H,7-9H2,1-6H3;9H,7-8H2,1-6H3;8,10H,4-7H2,1-3H3;4H,1-3H3
InChIKeyHXPQCXAFYJWBPJ-UHFFFAOYSA-N
XLogP29.45
TPSA34.71 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds
Heavy Atoms113
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001594.97
LogP ≤ 529.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

Analyze 2-tert-butylpiperidine;1,2-ditert-butylazetidine;1,2-ditert-butylpiperidine;bis(1,2-ditert-butylpyrrolidine);1,3-ditert-butylpyrrolidine;2-methylpropane;1,2,2-tritert-butylpyrrolidine;1,2,4-tritert-butylpyrrolidine with MolForge

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Frequently Asked Questions

What is the IUPAC name of 2-tert-butylpiperidine;1,2-ditert-butylazetidine;1,2-ditert-butylpiperidine;bis(1,2-ditert-butylpyrrolidine);1,3-ditert-butylpyrrolidine;2-methylpropane;1,2,2-tritert-butylpyrrolidine;1,2,4-tritert-butylpyrrolidine?
The IUPAC name of 2-tert-butylpiperidine;1,2-ditert-butylazetidine;1,2-ditert-butylpiperidine;bis(1,2-ditert-butylpyrrolidine);1,3-ditert-butylpyrrolidine;2-methylpropane;1,2,2-tritert-butylpyrrolidine;1,2,4-tritert-butylpyrrolidine (CID 163632851) is 2-tert-butylpiperidine;1,2-ditert-butylazetidine;1,2-ditert-butylpiperidine;bis(1,2-ditert-butylpyrrolidine);1,3-ditert-butylpyrrolidine;2-methylpropane;1,2,2-tritert-butylpyrrolidine;1,2,4-tritert-butylpyrrolidine.
What is the SMILES notation for 2-tert-butylpiperidine;1,2-ditert-butylazetidine;1,2-ditert-butylpiperidine;bis(1,2-ditert-butylpyrrolidine);1,3-ditert-butylpyrrolidine;2-methylpropane;1,2,2-tritert-butylpyrrolidine;1,2,4-tritert-butylpyrrolidine?
The canonical SMILES for 2-tert-butylpiperidine;1,2-ditert-butylazetidine;1,2-ditert-butylpiperidine;bis(1,2-ditert-butylpyrrolidine);1,3-ditert-butylpyrrolidine;2-methylpropane;1,2,2-tritert-butylpyrrolidine;1,2,4-tritert-butylpyrrolidine is CC(C)(C)C1CC(C(C)(C)C)N(C(C)(C)C)C1.CC(C)(C)C1CCCCN1.CC(C)(C)C1CCCCN1C(C)(C)C.CC(C)(C)C1CCCN1C(C)(C)C.CC(C)(C)C1CCCN1C(C)(C)C.CC(C)(C)C1CCN(C(C)(C)C)C1.CC(C)(C)C1CCN1C(C)(C)C.CC(C)(C)N1CCCC1(C(C)(C)C)C(C)(C)C.CC(C)C.
What is the InChIKey of 2-tert-butylpiperidine;1,2-ditert-butylazetidine;1,2-ditert-butylpiperidine;bis(1,2-ditert-butylpyrrolidine);1,3-ditert-butylpyrrolidine;2-methylpropane;1,2,2-tritert-butylpyrrolidine;1,2,4-tritert-butylpyrrolidine?
The InChIKey is HXPQCXAFYJWBPJ-UHFFFAOYSA-N. The full InChI is InChI=1S/2C16H33N.C13H27N.3C12H25N.C11H23N.C9H19N.C4H10/c1-14(2,3)12-10-13(15(4,5)6)17(11-12)16(7,8)9;1-13(2,3)16(14(4,5)6)11-10-12-17(16)15(7,8)9;1-12(2,3)11-9-7-8-10-14(11)13(4,5)6;1-11(2,3)10-7-8-13(9-10)12(4,5)6;2*1-11(2,3)10-8-7-9-13(10)12(4,5)6;1-10(2,3)9-7-8-12(9)11(4,5)6;1-9(2,3)8-6-4-5-7-10-8;1-4(2)3/h12-13H,10-11H2,1-9H3;10-12H2,1-9H3;11H,7-10H2,1-6H3;3*10H,7-9H2,1-6H3;9H,7-8H2,1-6H3;8,10H,4-7H2,1-3H3;4H,1-3H3.
What are the key properties of 2-tert-butylpiperidine;1,2-ditert-butylazetidine;1,2-ditert-butylpiperidine;bis(1,2-ditert-butylpyrrolidine);1,3-ditert-butylpyrrolidine;2-methylpropane;1,2,2-tritert-butylpyrrolidine;1,2,4-tritert-butylpyrrolidine?
2-tert-butylpiperidine;1,2-ditert-butylazetidine;1,2-ditert-butylpiperidine;bis(1,2-ditert-butylpyrrolidine);1,3-ditert-butylpyrrolidine;2-methylpropane;1,2,2-tritert-butylpyrrolidine;1,2,4-tritert-butylpyrrolidine has a molecular weight of 1594.97 g/mol, XLogP of 29.45, 0 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-tert-butylpiperidine;1,2-ditert-butylazetidine;1,2-ditert-butylpiperidine;bis(1,2-ditert-butylpyrrolidine);1,3-ditert-butylpyrrolidine;2-methylpropane;1,2,2-tritert-butylpyrrolidine;1,2,4-tritert-butylpyrrolidine is sourced from PubChem (CID 163632851), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).