ethane;(2R,5R)-1,2,4,5-tetramethylpiperidine

C11H25N — CID 145040358

IUPACethane;(2R,5R)-1,2,4,5-tetramethylpiperidine
SMILESCC.CC1C[C@@H](C)N(C)C[C@@H]1C
InChIInChI=1S/C9H19N.C2H6/c1-7-5-9(3)10(4)6-8(7)2;1-2/h7-9H,5-6H2,1-4H3;1-2H3/t7?,8-,9+;/m0./s1
InChIKeyUXBYTPJIOOOGKF-ZKKFVHNYSA-N
MW171.33 g/mol
LogP3.01
Rot. Bonds

About ethane;(2R,5R)-1,2,4,5-tetramethylpiperidine

ethane;(2R,5R)-1,2,4,5-tetramethylpiperidine (PubChem CID 145040358) has the molecular formula C11H25N and a molecular weight of 171.33 g/mol. Its IUPAC name is ethane;(2R,5R)-1,2,4,5-tetramethylpiperidine.

Molecular Properties

Compound Nameethane;(2R,5R)-1,2,4,5-tetramethylpiperidine
PubChem CID145040358
Molecular FormulaC11H25N
Molecular Weight171.33 g/mol
Exact Mass171.20
IUPAC Nameethane;(2R,5R)-1,2,4,5-tetramethylpiperidine
SMILESCC.CC1C[C@@H](C)N(C)C[C@@H]1C
InChIInChI=1S/C9H19N.C2H6/c1-7-5-9(3)10(4)6-8(7)2;1-2/h7-9H,5-6H2,1-4H3;1-2H3/t7?,8-,9+;/m0./s1
InChIKeyUXBYTPJIOOOGKF-ZKKFVHNYSA-N
XLogP3.01
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500171.33
LogP ≤ 53.01
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of ethane;(2R,5R)-1,2,4,5-tetramethylpiperidine?
The IUPAC name of ethane;(2R,5R)-1,2,4,5-tetramethylpiperidine (CID 145040358) is ethane;(2R,5R)-1,2,4,5-tetramethylpiperidine.
What is the SMILES notation for ethane;(2R,5R)-1,2,4,5-tetramethylpiperidine?
The canonical SMILES for ethane;(2R,5R)-1,2,4,5-tetramethylpiperidine is CC.CC1C[C@@H](C)N(C)C[C@@H]1C.
What is the InChIKey of ethane;(2R,5R)-1,2,4,5-tetramethylpiperidine?
The InChIKey is UXBYTPJIOOOGKF-ZKKFVHNYSA-N. The full InChI is InChI=1S/C9H19N.C2H6/c1-7-5-9(3)10(4)6-8(7)2;1-2/h7-9H,5-6H2,1-4H3;1-2H3/t7?,8-,9+;/m0./s1.
What are the key properties of ethane;(2R,5R)-1,2,4,5-tetramethylpiperidine?
ethane;(2R,5R)-1,2,4,5-tetramethylpiperidine has a molecular weight of 171.33 g/mol, XLogP of 3.01, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;(2R,5R)-1,2,4,5-tetramethylpiperidine is sourced from PubChem (CID 145040358), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).