1,2,5-trimethyl-N-(2-methyloxan-4-yl)piperidin-4-amine

C14H28N2O — CID 113349438

IUPAC1,2,5-trimethyl-N-(2-methyloxan-4-yl)piperidin-4-amine
SMILESCC1CC(NC2CC(C)N(C)CC2C)CCO1
InChIInChI=1S/C14H28N2O/c1-10-9-16(4)11(2)7-14(10)15-13-5-6-17-12(3)8-13/h10-15H,5-9H2,1-4H3
InChIKeyRLKXJAFINOQZOV-UHFFFAOYSA-N
MW240.39 g/mol
LogP1.87
Rot. Bonds2

About 1,2,5-trimethyl-N-(2-methyloxan-4-yl)piperidin-4-amine

1,2,5-trimethyl-N-(2-methyloxan-4-yl)piperidin-4-amine (PubChem CID 113349438) has the molecular formula C14H28N2O and a molecular weight of 240.39 g/mol. Its IUPAC name is 1,2,5-trimethyl-N-(2-methyloxan-4-yl)piperidin-4-amine.

Molecular Properties

Compound Name1,2,5-trimethyl-N-(2-methyloxan-4-yl)piperidin-4-amine
PubChem CID113349438
Molecular FormulaC14H28N2O
Molecular Weight240.39 g/mol
Exact Mass240.22
IUPAC Name1,2,5-trimethyl-N-(2-methyloxan-4-yl)piperidin-4-amine
SMILESCC1CC(NC2CC(C)N(C)CC2C)CCO1
InChIInChI=1S/C14H28N2O/c1-10-9-16(4)11(2)7-14(10)15-13-5-6-17-12(3)8-13/h10-15H,5-9H2,1-4H3
InChIKeyRLKXJAFINOQZOV-UHFFFAOYSA-N
XLogP1.87
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.39
LogP ≤ 51.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1,2,5-trimethyl-N-(2-methyloxan-4-yl)piperidin-4-amine?
The IUPAC name of 1,2,5-trimethyl-N-(2-methyloxan-4-yl)piperidin-4-amine (CID 113349438) is 1,2,5-trimethyl-N-(2-methyloxan-4-yl)piperidin-4-amine.
What is the SMILES notation for 1,2,5-trimethyl-N-(2-methyloxan-4-yl)piperidin-4-amine?
The canonical SMILES for 1,2,5-trimethyl-N-(2-methyloxan-4-yl)piperidin-4-amine is CC1CC(NC2CC(C)N(C)CC2C)CCO1.
What is the InChIKey of 1,2,5-trimethyl-N-(2-methyloxan-4-yl)piperidin-4-amine?
The InChIKey is RLKXJAFINOQZOV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H28N2O/c1-10-9-16(4)11(2)7-14(10)15-13-5-6-17-12(3)8-13/h10-15H,5-9H2,1-4H3.
What are the key properties of 1,2,5-trimethyl-N-(2-methyloxan-4-yl)piperidin-4-amine?
1,2,5-trimethyl-N-(2-methyloxan-4-yl)piperidin-4-amine has a molecular weight of 240.39 g/mol, XLogP of 1.87, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1,2,5-trimethyl-N-(2-methyloxan-4-yl)piperidin-4-amine is sourced from PubChem (CID 113349438), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).