2-[(3S,5R)-3,5-dimethylpiperidin-1-yl]-2-phenylethanamine

C15H24N2 — CID 16642936

IUPAC2-[(3S,5R)-3,5-dimethylpiperidin-1-yl]-2-phenylethanamine
SMILESC[C@@H]1C[C@H](C)CN(C(CN)c2ccccc2)C1
InChIInChI=1S/C15H24N2/c1-12-8-13(2)11-17(10-12)15(9-16)14-6-4-3-5-7-14/h3-7,12-13,15H,8-11,16H2,1-2H3/t12-,13+,15?
InChIKeyOHRZERXSWWEVOI-NNQSOWQGSA-N
MW232.37 g/mol
LogP2.66
Rot. Bonds3

About 2-[(3S,5R)-3,5-dimethylpiperidin-1-yl]-2-phenylethanamine

2-[(3S,5R)-3,5-dimethylpiperidin-1-yl]-2-phenylethanamine (PubChem CID 16642936) has the molecular formula C15H24N2 and a molecular weight of 232.37 g/mol. Its IUPAC name is 2-[(3S,5R)-3,5-dimethylpiperidin-1-yl]-2-phenylethanamine.

Molecular Properties

Compound Name2-[(3S,5R)-3,5-dimethylpiperidin-1-yl]-2-phenylethanamine
PubChem CID16642936
Molecular FormulaC15H24N2
Molecular Weight232.37 g/mol
Exact Mass232.19
IUPAC Name2-[(3S,5R)-3,5-dimethylpiperidin-1-yl]-2-phenylethanamine
SMILESC[C@@H]1C[C@H](C)CN(C(CN)c2ccccc2)C1
InChIInChI=1S/C15H24N2/c1-12-8-13(2)11-17(10-12)15(9-16)14-6-4-3-5-7-14/h3-7,12-13,15H,8-11,16H2,1-2H3/t12-,13+,15?
InChIKeyOHRZERXSWWEVOI-NNQSOWQGSA-N
XLogP2.66
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.37
LogP ≤ 52.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-[(3S,5R)-3,5-dimethylpiperidin-1-yl]-2-phenylethanamine?
The IUPAC name of 2-[(3S,5R)-3,5-dimethylpiperidin-1-yl]-2-phenylethanamine (CID 16642936) is 2-[(3S,5R)-3,5-dimethylpiperidin-1-yl]-2-phenylethanamine.
What is the SMILES notation for 2-[(3S,5R)-3,5-dimethylpiperidin-1-yl]-2-phenylethanamine?
The canonical SMILES for 2-[(3S,5R)-3,5-dimethylpiperidin-1-yl]-2-phenylethanamine is C[C@@H]1C[C@H](C)CN(C(CN)c2ccccc2)C1.
What is the InChIKey of 2-[(3S,5R)-3,5-dimethylpiperidin-1-yl]-2-phenylethanamine?
The InChIKey is OHRZERXSWWEVOI-NNQSOWQGSA-N. The full InChI is InChI=1S/C15H24N2/c1-12-8-13(2)11-17(10-12)15(9-16)14-6-4-3-5-7-14/h3-7,12-13,15H,8-11,16H2,1-2H3/t12-,13+,15?.
What are the key properties of 2-[(3S,5R)-3,5-dimethylpiperidin-1-yl]-2-phenylethanamine?
2-[(3S,5R)-3,5-dimethylpiperidin-1-yl]-2-phenylethanamine has a molecular weight of 232.37 g/mol, XLogP of 2.66, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3S,5R)-3,5-dimethylpiperidin-1-yl]-2-phenylethanamine is sourced from PubChem (CID 16642936), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).