[(1R,2R)-2-piperidin-4-ylcyclopropyl]methanol;2,2,2-trifluoroacetaldehyde

C11H18F3NO2 — CID 159289279

IUPAC[(1R,2R)-2-piperidin-4-ylcyclopropyl]methanol;2,2,2-trifluoroacetaldehyde
SMILESO=CC(F)(F)F.OC[C@@H]1C[C@@H]1C1CCNCC1
InChIInChI=1S/C9H17NO.C2HF3O/c11-6-8-5-9(8)7-1-3-10-4-2-7;3-2(4,5)1-6/h7-11H,1-6H2;1H/t8-,9+;/m0./s1
InChIKeyKZXDTRZVTKSPKM-OULXEKPRSA-N
MW253.26 g/mol
LogP1.36
Rot. Bonds2

About [(1R,2R)-2-piperidin-4-ylcyclopropyl]methanol;2,2,2-trifluoroacetaldehyde

[(1R,2R)-2-piperidin-4-ylcyclopropyl]methanol;2,2,2-trifluoroacetaldehyde (PubChem CID 159289279) has the molecular formula C11H18F3NO2 and a molecular weight of 253.26 g/mol. Its IUPAC name is [(1R,2R)-2-piperidin-4-ylcyclopropyl]methanol;2,2,2-trifluoroacetaldehyde.

Molecular Properties

Compound Name[(1R,2R)-2-piperidin-4-ylcyclopropyl]methanol;2,2,2-trifluoroacetaldehyde
PubChem CID159289279
Molecular FormulaC11H18F3NO2
Molecular Weight253.26 g/mol
Exact Mass253.13
IUPAC Name[(1R,2R)-2-piperidin-4-ylcyclopropyl]methanol;2,2,2-trifluoroacetaldehyde
SMILESO=CC(F)(F)F.OC[C@@H]1C[C@@H]1C1CCNCC1
InChIInChI=1S/C9H17NO.C2HF3O/c11-6-8-5-9(8)7-1-3-10-4-2-7;3-2(4,5)1-6/h7-11H,1-6H2;1H/t8-,9+;/m0./s1
InChIKeyKZXDTRZVTKSPKM-OULXEKPRSA-N
XLogP1.36
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.26
LogP ≤ 51.36
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of [(1R,2R)-2-piperidin-4-ylcyclopropyl]methanol;2,2,2-trifluoroacetaldehyde?
The IUPAC name of [(1R,2R)-2-piperidin-4-ylcyclopropyl]methanol;2,2,2-trifluoroacetaldehyde (CID 159289279) is [(1R,2R)-2-piperidin-4-ylcyclopropyl]methanol;2,2,2-trifluoroacetaldehyde.
What is the SMILES notation for [(1R,2R)-2-piperidin-4-ylcyclopropyl]methanol;2,2,2-trifluoroacetaldehyde?
The canonical SMILES for [(1R,2R)-2-piperidin-4-ylcyclopropyl]methanol;2,2,2-trifluoroacetaldehyde is O=CC(F)(F)F.OC[C@@H]1C[C@@H]1C1CCNCC1.
What is the InChIKey of [(1R,2R)-2-piperidin-4-ylcyclopropyl]methanol;2,2,2-trifluoroacetaldehyde?
The InChIKey is KZXDTRZVTKSPKM-OULXEKPRSA-N. The full InChI is InChI=1S/C9H17NO.C2HF3O/c11-6-8-5-9(8)7-1-3-10-4-2-7;3-2(4,5)1-6/h7-11H,1-6H2;1H/t8-,9+;/m0./s1.
What are the key properties of [(1R,2R)-2-piperidin-4-ylcyclopropyl]methanol;2,2,2-trifluoroacetaldehyde?
[(1R,2R)-2-piperidin-4-ylcyclopropyl]methanol;2,2,2-trifluoroacetaldehyde has a molecular weight of 253.26 g/mol, XLogP of 1.36, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [(1R,2R)-2-piperidin-4-ylcyclopropyl]methanol;2,2,2-trifluoroacetaldehyde is sourced from PubChem (CID 159289279), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).