[(2S,5R)-5-amino-2-(trifluoromethyl)piperidin-1-yl]-naphthalen-2-ylmethanone

C17H17F3N2O — CID 129353663

IUPAC[(2S,5R)-5-amino-2-(trifluoromethyl)piperidin-1-yl]-naphthalen-2-ylmethanone
SMILESN[C@@H]1CC[C@@H](C(F)(F)F)N(C(=O)c2ccc3ccccc3c2)C1
InChIInChI=1S/C17H17F3N2O/c18-17(19,20)15-8-7-14(21)10-22(15)16(23)13-6-5-11-3-1-2-4-12(11)9-13/h1-6,9,14-15H,7-8,10,21H2/t14-,15+/m1/s1
InChIKeyVVZQNZWOUUSPCC-CABCVRRESA-N
MW322.33 g/mol
LogP3.33
Rot. Bonds1

About [(2S,5R)-5-amino-2-(trifluoromethyl)piperidin-1-yl]-naphthalen-2-ylmethanone

[(2S,5R)-5-amino-2-(trifluoromethyl)piperidin-1-yl]-naphthalen-2-ylmethanone (PubChem CID 129353663) has the molecular formula C17H17F3N2O and a molecular weight of 322.33 g/mol. Its IUPAC name is [(2S,5R)-5-amino-2-(trifluoromethyl)piperidin-1-yl]-naphthalen-2-ylmethanone.

Molecular Properties

Compound Name[(2S,5R)-5-amino-2-(trifluoromethyl)piperidin-1-yl]-naphthalen-2-ylmethanone
PubChem CID129353663
Molecular FormulaC17H17F3N2O
Molecular Weight322.33 g/mol
Exact Mass322.13
IUPAC Name[(2S,5R)-5-amino-2-(trifluoromethyl)piperidin-1-yl]-naphthalen-2-ylmethanone
SMILESN[C@@H]1CC[C@@H](C(F)(F)F)N(C(=O)c2ccc3ccccc3c2)C1
InChIInChI=1S/C17H17F3N2O/c18-17(19,20)15-8-7-14(21)10-22(15)16(23)13-6-5-11-3-1-2-4-12(11)9-13/h1-6,9,14-15H,7-8,10,21H2/t14-,15+/m1/s1
InChIKeyVVZQNZWOUUSPCC-CABCVRRESA-N
XLogP3.33
TPSA46.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.33
LogP ≤ 53.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of [(2S,5R)-5-amino-2-(trifluoromethyl)piperidin-1-yl]-naphthalen-2-ylmethanone?
The IUPAC name of [(2S,5R)-5-amino-2-(trifluoromethyl)piperidin-1-yl]-naphthalen-2-ylmethanone (CID 129353663) is [(2S,5R)-5-amino-2-(trifluoromethyl)piperidin-1-yl]-naphthalen-2-ylmethanone.
What is the SMILES notation for [(2S,5R)-5-amino-2-(trifluoromethyl)piperidin-1-yl]-naphthalen-2-ylmethanone?
The canonical SMILES for [(2S,5R)-5-amino-2-(trifluoromethyl)piperidin-1-yl]-naphthalen-2-ylmethanone is N[C@@H]1CC[C@@H](C(F)(F)F)N(C(=O)c2ccc3ccccc3c2)C1.
What is the InChIKey of [(2S,5R)-5-amino-2-(trifluoromethyl)piperidin-1-yl]-naphthalen-2-ylmethanone?
The InChIKey is VVZQNZWOUUSPCC-CABCVRRESA-N. The full InChI is InChI=1S/C17H17F3N2O/c18-17(19,20)15-8-7-14(21)10-22(15)16(23)13-6-5-11-3-1-2-4-12(11)9-13/h1-6,9,14-15H,7-8,10,21H2/t14-,15+/m1/s1.
What are the key properties of [(2S,5R)-5-amino-2-(trifluoromethyl)piperidin-1-yl]-naphthalen-2-ylmethanone?
[(2S,5R)-5-amino-2-(trifluoromethyl)piperidin-1-yl]-naphthalen-2-ylmethanone has a molecular weight of 322.33 g/mol, XLogP of 3.33, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [(2S,5R)-5-amino-2-(trifluoromethyl)piperidin-1-yl]-naphthalen-2-ylmethanone is sourced from PubChem (CID 129353663), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).