1-[(2R,3S)-3-amino-2-[[4-(trifluoromethyl)cyclohexyl]oxymethyl]piperidin-1-yl]ethanone

C15H25F3N2O2 — CID 166854367

IUPAC1-[(2R,3S)-3-amino-2-[[4-(trifluoromethyl)cyclohexyl]oxymethyl]piperidin-1-yl]ethanone
SMILESCC(=O)N1CCC[C@H](N)[C@@H]1COC1CCC(C(F)(F)F)CC1
InChIInChI=1S/C15H25F3N2O2/c1-10(21)20-8-2-3-13(19)14(20)9-22-12-6-4-11(5-7-12)15(16,17)18/h11-14H,2-9,19H2,1H3/t11?,12?,13-,14-/m0/s1
InChIKeyWCNQSXSJYUISFP-HOAMVYINSA-N
MW322.37 g/mol
LogP2.46
Rot. Bonds3

About 1-[(2R,3S)-3-amino-2-[[4-(trifluoromethyl)cyclohexyl]oxymethyl]piperidin-1-yl]ethanone

1-[(2R,3S)-3-amino-2-[[4-(trifluoromethyl)cyclohexyl]oxymethyl]piperidin-1-yl]ethanone (PubChem CID 166854367) has the molecular formula C15H25F3N2O2 and a molecular weight of 322.37 g/mol. Its IUPAC name is 1-[(2R,3S)-3-amino-2-[[4-(trifluoromethyl)cyclohexyl]oxymethyl]piperidin-1-yl]ethanone.

Molecular Properties

Compound Name1-[(2R,3S)-3-amino-2-[[4-(trifluoromethyl)cyclohexyl]oxymethyl]piperidin-1-yl]ethanone
PubChem CID166854367
Molecular FormulaC15H25F3N2O2
Molecular Weight322.37 g/mol
Exact Mass322.19
IUPAC Name1-[(2R,3S)-3-amino-2-[[4-(trifluoromethyl)cyclohexyl]oxymethyl]piperidin-1-yl]ethanone
SMILESCC(=O)N1CCC[C@H](N)[C@@H]1COC1CCC(C(F)(F)F)CC1
InChIInChI=1S/C15H25F3N2O2/c1-10(21)20-8-2-3-13(19)14(20)9-22-12-6-4-11(5-7-12)15(16,17)18/h11-14H,2-9,19H2,1H3/t11?,12?,13-,14-/m0/s1
InChIKeyWCNQSXSJYUISFP-HOAMVYINSA-N
XLogP2.46
TPSA55.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.37
LogP ≤ 52.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-[(2R,3S)-3-amino-2-[[4-(trifluoromethyl)cyclohexyl]oxymethyl]piperidin-1-yl]ethanone?
The IUPAC name of 1-[(2R,3S)-3-amino-2-[[4-(trifluoromethyl)cyclohexyl]oxymethyl]piperidin-1-yl]ethanone (CID 166854367) is 1-[(2R,3S)-3-amino-2-[[4-(trifluoromethyl)cyclohexyl]oxymethyl]piperidin-1-yl]ethanone.
What is the SMILES notation for 1-[(2R,3S)-3-amino-2-[[4-(trifluoromethyl)cyclohexyl]oxymethyl]piperidin-1-yl]ethanone?
The canonical SMILES for 1-[(2R,3S)-3-amino-2-[[4-(trifluoromethyl)cyclohexyl]oxymethyl]piperidin-1-yl]ethanone is CC(=O)N1CCC[C@H](N)[C@@H]1COC1CCC(C(F)(F)F)CC1.
What is the InChIKey of 1-[(2R,3S)-3-amino-2-[[4-(trifluoromethyl)cyclohexyl]oxymethyl]piperidin-1-yl]ethanone?
The InChIKey is WCNQSXSJYUISFP-HOAMVYINSA-N. The full InChI is InChI=1S/C15H25F3N2O2/c1-10(21)20-8-2-3-13(19)14(20)9-22-12-6-4-11(5-7-12)15(16,17)18/h11-14H,2-9,19H2,1H3/t11?,12?,13-,14-/m0/s1.
What are the key properties of 1-[(2R,3S)-3-amino-2-[[4-(trifluoromethyl)cyclohexyl]oxymethyl]piperidin-1-yl]ethanone?
1-[(2R,3S)-3-amino-2-[[4-(trifluoromethyl)cyclohexyl]oxymethyl]piperidin-1-yl]ethanone has a molecular weight of 322.37 g/mol, XLogP of 2.46, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2R,3S)-3-amino-2-[[4-(trifluoromethyl)cyclohexyl]oxymethyl]piperidin-1-yl]ethanone is sourced from PubChem (CID 166854367), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).