1-[(2S)-3-methoxy-2-methylpropyl]-4-(trifluoromethyl)piperidine

C11H20F3NO — CID 121404019

IUPAC1-[(2S)-3-methoxy-2-methylpropyl]-4-(trifluoromethyl)piperidine
SMILESCOC[C@@H](C)CN1CCC(C(F)(F)F)CC1
InChIInChI=1S/C11H20F3NO/c1-9(8-16-2)7-15-5-3-10(4-6-15)11(12,13)14/h9-10H,3-8H2,1-2H3/t9-/m0/s1
InChIKeyYMLDPFBGJMWPPL-VIFPVBQESA-N
MW239.28 g/mol
LogP2.54
Rot. Bonds4

About 1-[(2S)-3-methoxy-2-methylpropyl]-4-(trifluoromethyl)piperidine

1-[(2S)-3-methoxy-2-methylpropyl]-4-(trifluoromethyl)piperidine (PubChem CID 121404019) has the molecular formula C11H20F3NO and a molecular weight of 239.28 g/mol. Its IUPAC name is 1-[(2S)-3-methoxy-2-methylpropyl]-4-(trifluoromethyl)piperidine.

Molecular Properties

Compound Name1-[(2S)-3-methoxy-2-methylpropyl]-4-(trifluoromethyl)piperidine
PubChem CID121404019
Molecular FormulaC11H20F3NO
Molecular Weight239.28 g/mol
Exact Mass239.15
IUPAC Name1-[(2S)-3-methoxy-2-methylpropyl]-4-(trifluoromethyl)piperidine
SMILESCOC[C@@H](C)CN1CCC(C(F)(F)F)CC1
InChIInChI=1S/C11H20F3NO/c1-9(8-16-2)7-15-5-3-10(4-6-15)11(12,13)14/h9-10H,3-8H2,1-2H3/t9-/m0/s1
InChIKeyYMLDPFBGJMWPPL-VIFPVBQESA-N
XLogP2.54
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.28
LogP ≤ 52.54
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-[(2S)-3-methoxy-2-methylpropyl]-4-(trifluoromethyl)piperidine?
The IUPAC name of 1-[(2S)-3-methoxy-2-methylpropyl]-4-(trifluoromethyl)piperidine (CID 121404019) is 1-[(2S)-3-methoxy-2-methylpropyl]-4-(trifluoromethyl)piperidine.
What is the SMILES notation for 1-[(2S)-3-methoxy-2-methylpropyl]-4-(trifluoromethyl)piperidine?
The canonical SMILES for 1-[(2S)-3-methoxy-2-methylpropyl]-4-(trifluoromethyl)piperidine is COC[C@@H](C)CN1CCC(C(F)(F)F)CC1.
What is the InChIKey of 1-[(2S)-3-methoxy-2-methylpropyl]-4-(trifluoromethyl)piperidine?
The InChIKey is YMLDPFBGJMWPPL-VIFPVBQESA-N. The full InChI is InChI=1S/C11H20F3NO/c1-9(8-16-2)7-15-5-3-10(4-6-15)11(12,13)14/h9-10H,3-8H2,1-2H3/t9-/m0/s1.
What are the key properties of 1-[(2S)-3-methoxy-2-methylpropyl]-4-(trifluoromethyl)piperidine?
1-[(2S)-3-methoxy-2-methylpropyl]-4-(trifluoromethyl)piperidine has a molecular weight of 239.28 g/mol, XLogP of 2.54, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2S)-3-methoxy-2-methylpropyl]-4-(trifluoromethyl)piperidine is sourced from PubChem (CID 121404019), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).