methane;1,2,2,6,6-pentamethyl-4-propan-2-ylpiperidine;2,2,6,6-tetramethyl-4-propan-2-ylpiperidine

C27H60N2 — CID 157477069

IUPACmethane;1,2,2,6,6-pentamethyl-4-propan-2-ylpiperidine;2,2,6,6-tetramethyl-4-propan-2-ylpiperidine
SMILESC.C.CC(C)C1CC(C)(C)N(C)C(C)(C)C1.CC(C)C1CC(C)(C)NC(C)(C)C1
InChIInChI=1S/C13H27N.C12H25N.2CH4/c1-10(2)11-8-12(3,4)14(7)13(5,6)9-11;1-9(2)10-7-11(3,4)13-12(5,6)8-10;;/h10-11H,8-9H2,1-7H3;9-10,13H,7-8H2,1-6H3;2*1H4
InChIKeyBVSINWVFGAVBCS-UHFFFAOYSA-N
MW412.79 g/mol
LogP8.01
Rot. Bonds2

About methane;1,2,2,6,6-pentamethyl-4-propan-2-ylpiperidine;2,2,6,6-tetramethyl-4-propan-2-ylpiperidine

methane;1,2,2,6,6-pentamethyl-4-propan-2-ylpiperidine;2,2,6,6-tetramethyl-4-propan-2-ylpiperidine (PubChem CID 157477069) has the molecular formula C27H60N2 and a molecular weight of 412.79 g/mol. Its IUPAC name is methane;1,2,2,6,6-pentamethyl-4-propan-2-ylpiperidine;2,2,6,6-tetramethyl-4-propan-2-ylpiperidine.

Molecular Properties

Compound Namemethane;1,2,2,6,6-pentamethyl-4-propan-2-ylpiperidine;2,2,6,6-tetramethyl-4-propan-2-ylpiperidine
PubChem CID157477069
Molecular FormulaC27H60N2
Molecular Weight412.79 g/mol
Exact Mass412.48
IUPAC Namemethane;1,2,2,6,6-pentamethyl-4-propan-2-ylpiperidine;2,2,6,6-tetramethyl-4-propan-2-ylpiperidine
SMILESC.C.CC(C)C1CC(C)(C)N(C)C(C)(C)C1.CC(C)C1CC(C)(C)NC(C)(C)C1
InChIInChI=1S/C13H27N.C12H25N.2CH4/c1-10(2)11-8-12(3,4)14(7)13(5,6)9-11;1-9(2)10-7-11(3,4)13-12(5,6)8-10;;/h10-11H,8-9H2,1-7H3;9-10,13H,7-8H2,1-6H3;2*1H4
InChIKeyBVSINWVFGAVBCS-UHFFFAOYSA-N
XLogP8.01
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500412.79
LogP ≤ 58.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of methane;1,2,2,6,6-pentamethyl-4-propan-2-ylpiperidine;2,2,6,6-tetramethyl-4-propan-2-ylpiperidine?
The IUPAC name of methane;1,2,2,6,6-pentamethyl-4-propan-2-ylpiperidine;2,2,6,6-tetramethyl-4-propan-2-ylpiperidine (CID 157477069) is methane;1,2,2,6,6-pentamethyl-4-propan-2-ylpiperidine;2,2,6,6-tetramethyl-4-propan-2-ylpiperidine.
What is the SMILES notation for methane;1,2,2,6,6-pentamethyl-4-propan-2-ylpiperidine;2,2,6,6-tetramethyl-4-propan-2-ylpiperidine?
The canonical SMILES for methane;1,2,2,6,6-pentamethyl-4-propan-2-ylpiperidine;2,2,6,6-tetramethyl-4-propan-2-ylpiperidine is C.C.CC(C)C1CC(C)(C)N(C)C(C)(C)C1.CC(C)C1CC(C)(C)NC(C)(C)C1.
What is the InChIKey of methane;1,2,2,6,6-pentamethyl-4-propan-2-ylpiperidine;2,2,6,6-tetramethyl-4-propan-2-ylpiperidine?
The InChIKey is BVSINWVFGAVBCS-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H27N.C12H25N.2CH4/c1-10(2)11-8-12(3,4)14(7)13(5,6)9-11;1-9(2)10-7-11(3,4)13-12(5,6)8-10;;/h10-11H,8-9H2,1-7H3;9-10,13H,7-8H2,1-6H3;2*1H4.
What are the key properties of methane;1,2,2,6,6-pentamethyl-4-propan-2-ylpiperidine;2,2,6,6-tetramethyl-4-propan-2-ylpiperidine?
methane;1,2,2,6,6-pentamethyl-4-propan-2-ylpiperidine;2,2,6,6-tetramethyl-4-propan-2-ylpiperidine has a molecular weight of 412.79 g/mol, XLogP of 8.01, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for methane;1,2,2,6,6-pentamethyl-4-propan-2-ylpiperidine;2,2,6,6-tetramethyl-4-propan-2-ylpiperidine is sourced from PubChem (CID 157477069), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).