[1-(hydroxymethyl)cyclopropyl]-[4-methoxy-4-(trifluoromethyl)piperidin-1-yl]methanone

C12H18F3NO3 — CID 170423722

IUPAC[1-(hydroxymethyl)cyclopropyl]-[4-methoxy-4-(trifluoromethyl)piperidin-1-yl]methanone
SMILESCOC1(C(F)(F)F)CCN(C(=O)C2(CO)CC2)CC1
InChIInChI=1S/C12H18F3NO3/c1-19-11(12(13,14)15)4-6-16(7-5-11)9(18)10(8-17)2-3-10/h17H,2-8H2,1H3
InChIKeyDXOTZGATLAMPDI-UHFFFAOYSA-N
MW281.27 g/mol
LogP1.33
Rot. Bonds3

About [1-(hydroxymethyl)cyclopropyl]-[4-methoxy-4-(trifluoromethyl)piperidin-1-yl]methanone

[1-(hydroxymethyl)cyclopropyl]-[4-methoxy-4-(trifluoromethyl)piperidin-1-yl]methanone (PubChem CID 170423722) has the molecular formula C12H18F3NO3 and a molecular weight of 281.27 g/mol. Its IUPAC name is [1-(hydroxymethyl)cyclopropyl]-[4-methoxy-4-(trifluoromethyl)piperidin-1-yl]methanone.

Molecular Properties

Compound Name[1-(hydroxymethyl)cyclopropyl]-[4-methoxy-4-(trifluoromethyl)piperidin-1-yl]methanone
PubChem CID170423722
Molecular FormulaC12H18F3NO3
Molecular Weight281.27 g/mol
Exact Mass281.12
IUPAC Name[1-(hydroxymethyl)cyclopropyl]-[4-methoxy-4-(trifluoromethyl)piperidin-1-yl]methanone
SMILESCOC1(C(F)(F)F)CCN(C(=O)C2(CO)CC2)CC1
InChIInChI=1S/C12H18F3NO3/c1-19-11(12(13,14)15)4-6-16(7-5-11)9(18)10(8-17)2-3-10/h17H,2-8H2,1H3
InChIKeyDXOTZGATLAMPDI-UHFFFAOYSA-N
XLogP1.33
TPSA49.77 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.27
LogP ≤ 51.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of [1-(hydroxymethyl)cyclopropyl]-[4-methoxy-4-(trifluoromethyl)piperidin-1-yl]methanone?
The IUPAC name of [1-(hydroxymethyl)cyclopropyl]-[4-methoxy-4-(trifluoromethyl)piperidin-1-yl]methanone (CID 170423722) is [1-(hydroxymethyl)cyclopropyl]-[4-methoxy-4-(trifluoromethyl)piperidin-1-yl]methanone.
What is the SMILES notation for [1-(hydroxymethyl)cyclopropyl]-[4-methoxy-4-(trifluoromethyl)piperidin-1-yl]methanone?
The canonical SMILES for [1-(hydroxymethyl)cyclopropyl]-[4-methoxy-4-(trifluoromethyl)piperidin-1-yl]methanone is COC1(C(F)(F)F)CCN(C(=O)C2(CO)CC2)CC1.
What is the InChIKey of [1-(hydroxymethyl)cyclopropyl]-[4-methoxy-4-(trifluoromethyl)piperidin-1-yl]methanone?
The InChIKey is DXOTZGATLAMPDI-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18F3NO3/c1-19-11(12(13,14)15)4-6-16(7-5-11)9(18)10(8-17)2-3-10/h17H,2-8H2,1H3.
What are the key properties of [1-(hydroxymethyl)cyclopropyl]-[4-methoxy-4-(trifluoromethyl)piperidin-1-yl]methanone?
[1-(hydroxymethyl)cyclopropyl]-[4-methoxy-4-(trifluoromethyl)piperidin-1-yl]methanone has a molecular weight of 281.27 g/mol, XLogP of 1.33, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(hydroxymethyl)cyclopropyl]-[4-methoxy-4-(trifluoromethyl)piperidin-1-yl]methanone is sourced from PubChem (CID 170423722), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).