1-(2,2,5,5-tetramethyloxolan-3-yl)piperidin-4-amine

C13H26N2O — CID 79926969

IUPAC1-(2,2,5,5-tetramethyloxolan-3-yl)piperidin-4-amine
SMILESCC1(C)CC(N2CCC(N)CC2)C(C)(C)O1
InChIInChI=1S/C13H26N2O/c1-12(2)9-11(13(3,4)16-12)15-7-5-10(14)6-8-15/h10-11H,5-9,14H2,1-4H3
InChIKeyQNBCNVLSACCYAC-UHFFFAOYSA-N
MW226.36 g/mol
LogP1.76
Rot. Bonds1

About 1-(2,2,5,5-tetramethyloxolan-3-yl)piperidin-4-amine

1-(2,2,5,5-tetramethyloxolan-3-yl)piperidin-4-amine (PubChem CID 79926969) has the molecular formula C13H26N2O and a molecular weight of 226.36 g/mol. Its IUPAC name is 1-(2,2,5,5-tetramethyloxolan-3-yl)piperidin-4-amine.

Molecular Properties

Compound Name1-(2,2,5,5-tetramethyloxolan-3-yl)piperidin-4-amine
PubChem CID79926969
Molecular FormulaC13H26N2O
Molecular Weight226.36 g/mol
Exact Mass226.20
IUPAC Name1-(2,2,5,5-tetramethyloxolan-3-yl)piperidin-4-amine
SMILESCC1(C)CC(N2CCC(N)CC2)C(C)(C)O1
InChIInChI=1S/C13H26N2O/c1-12(2)9-11(13(3,4)16-12)15-7-5-10(14)6-8-15/h10-11H,5-9,14H2,1-4H3
InChIKeyQNBCNVLSACCYAC-UHFFFAOYSA-N
XLogP1.76
TPSA38.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.36
LogP ≤ 51.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-(2,2,5,5-tetramethyloxolan-3-yl)piperidin-4-amine?
The IUPAC name of 1-(2,2,5,5-tetramethyloxolan-3-yl)piperidin-4-amine (CID 79926969) is 1-(2,2,5,5-tetramethyloxolan-3-yl)piperidin-4-amine.
What is the SMILES notation for 1-(2,2,5,5-tetramethyloxolan-3-yl)piperidin-4-amine?
The canonical SMILES for 1-(2,2,5,5-tetramethyloxolan-3-yl)piperidin-4-amine is CC1(C)CC(N2CCC(N)CC2)C(C)(C)O1.
What is the InChIKey of 1-(2,2,5,5-tetramethyloxolan-3-yl)piperidin-4-amine?
The InChIKey is QNBCNVLSACCYAC-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H26N2O/c1-12(2)9-11(13(3,4)16-12)15-7-5-10(14)6-8-15/h10-11H,5-9,14H2,1-4H3.
What are the key properties of 1-(2,2,5,5-tetramethyloxolan-3-yl)piperidin-4-amine?
1-(2,2,5,5-tetramethyloxolan-3-yl)piperidin-4-amine has a molecular weight of 226.36 g/mol, XLogP of 1.76, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,2,5,5-tetramethyloxolan-3-yl)piperidin-4-amine is sourced from PubChem (CID 79926969), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).