1-(cyclohex-3-en-1-ylmethyl)-4-(trifluoromethyl)piperidin-4-ol

C13H20F3NO — CID 75509404

IUPAC1-(cyclohex-3-en-1-ylmethyl)-4-(trifluoromethyl)piperidin-4-ol
SMILESOC1(C(F)(F)F)CCN(CC2CC=CCC2)CC1
InChIInChI=1S/C13H20F3NO/c14-13(15,16)12(18)6-8-17(9-7-12)10-11-4-2-1-3-5-11/h1-2,11,18H,3-10H2
InChIKeyVWNRKAMXDKVIEA-UHFFFAOYSA-N
MW263.30 g/mol
LogP2.73
Rot. Bonds2

About 1-(cyclohex-3-en-1-ylmethyl)-4-(trifluoromethyl)piperidin-4-ol

1-(cyclohex-3-en-1-ylmethyl)-4-(trifluoromethyl)piperidin-4-ol (PubChem CID 75509404) has the molecular formula C13H20F3NO and a molecular weight of 263.30 g/mol. Its IUPAC name is 1-(cyclohex-3-en-1-ylmethyl)-4-(trifluoromethyl)piperidin-4-ol.

Molecular Properties

Compound Name1-(cyclohex-3-en-1-ylmethyl)-4-(trifluoromethyl)piperidin-4-ol
PubChem CID75509404
Molecular FormulaC13H20F3NO
Molecular Weight263.30 g/mol
Exact Mass263.15
IUPAC Name1-(cyclohex-3-en-1-ylmethyl)-4-(trifluoromethyl)piperidin-4-ol
SMILESOC1(C(F)(F)F)CCN(CC2CC=CCC2)CC1
InChIInChI=1S/C13H20F3NO/c14-13(15,16)12(18)6-8-17(9-7-12)10-11-4-2-1-3-5-11/h1-2,11,18H,3-10H2
InChIKeyVWNRKAMXDKVIEA-UHFFFAOYSA-N
XLogP2.73
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.30
LogP ≤ 52.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1-(cyclohex-3-en-1-ylmethyl)-4-(trifluoromethyl)piperidin-4-ol?
The IUPAC name of 1-(cyclohex-3-en-1-ylmethyl)-4-(trifluoromethyl)piperidin-4-ol (CID 75509404) is 1-(cyclohex-3-en-1-ylmethyl)-4-(trifluoromethyl)piperidin-4-ol.
What is the SMILES notation for 1-(cyclohex-3-en-1-ylmethyl)-4-(trifluoromethyl)piperidin-4-ol?
The canonical SMILES for 1-(cyclohex-3-en-1-ylmethyl)-4-(trifluoromethyl)piperidin-4-ol is OC1(C(F)(F)F)CCN(CC2CC=CCC2)CC1.
What is the InChIKey of 1-(cyclohex-3-en-1-ylmethyl)-4-(trifluoromethyl)piperidin-4-ol?
The InChIKey is VWNRKAMXDKVIEA-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20F3NO/c14-13(15,16)12(18)6-8-17(9-7-12)10-11-4-2-1-3-5-11/h1-2,11,18H,3-10H2.
What are the key properties of 1-(cyclohex-3-en-1-ylmethyl)-4-(trifluoromethyl)piperidin-4-ol?
1-(cyclohex-3-en-1-ylmethyl)-4-(trifluoromethyl)piperidin-4-ol has a molecular weight of 263.30 g/mol, XLogP of 2.73, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(cyclohex-3-en-1-ylmethyl)-4-(trifluoromethyl)piperidin-4-ol is sourced from PubChem (CID 75509404), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).