[4-(2,2-difluoropropyl)cyclohex-2-en-1-yl]-piperidin-1-ylmethanol

C15H25F2NO — CID 143734278

IUPAC[4-(2,2-difluoropropyl)cyclohex-2-en-1-yl]-piperidin-1-ylmethanol
SMILESCC(F)(F)CC1C=CC(C(O)N2CCCCC2)CC1
InChIInChI=1S/C15H25F2NO/c1-15(16,17)11-12-5-7-13(8-6-12)14(19)18-9-3-2-4-10-18/h5,7,12-14,19H,2-4,6,8-11H2,1H3
InChIKeyUJMCIHAXKNUKRP-UHFFFAOYSA-N
MW273.37 g/mol
LogP3.42
Rot. Bonds4

About [4-(2,2-difluoropropyl)cyclohex-2-en-1-yl]-piperidin-1-ylmethanol

[4-(2,2-difluoropropyl)cyclohex-2-en-1-yl]-piperidin-1-ylmethanol (PubChem CID 143734278) has the molecular formula C15H25F2NO and a molecular weight of 273.37 g/mol. Its IUPAC name is [4-(2,2-difluoropropyl)cyclohex-2-en-1-yl]-piperidin-1-ylmethanol.

Molecular Properties

Compound Name[4-(2,2-difluoropropyl)cyclohex-2-en-1-yl]-piperidin-1-ylmethanol
PubChem CID143734278
Molecular FormulaC15H25F2NO
Molecular Weight273.37 g/mol
Exact Mass273.19
IUPAC Name[4-(2,2-difluoropropyl)cyclohex-2-en-1-yl]-piperidin-1-ylmethanol
SMILESCC(F)(F)CC1C=CC(C(O)N2CCCCC2)CC1
InChIInChI=1S/C15H25F2NO/c1-15(16,17)11-12-5-7-13(8-6-12)14(19)18-9-3-2-4-10-18/h5,7,12-14,19H,2-4,6,8-11H2,1H3
InChIKeyUJMCIHAXKNUKRP-UHFFFAOYSA-N
XLogP3.42
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.37
LogP ≤ 53.42
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 [4-(2,2-difluoropropyl)cyclohex-2-en-1-yl]-piperidin-1-ylmethanol?
The IUPAC name of [4-(2,2-difluoropropyl)cyclohex-2-en-1-yl]-piperidin-1-ylmethanol (CID 143734278) is [4-(2,2-difluoropropyl)cyclohex-2-en-1-yl]-piperidin-1-ylmethanol.
What is the SMILES notation for [4-(2,2-difluoropropyl)cyclohex-2-en-1-yl]-piperidin-1-ylmethanol?
The canonical SMILES for [4-(2,2-difluoropropyl)cyclohex-2-en-1-yl]-piperidin-1-ylmethanol is CC(F)(F)CC1C=CC(C(O)N2CCCCC2)CC1.
What is the InChIKey of [4-(2,2-difluoropropyl)cyclohex-2-en-1-yl]-piperidin-1-ylmethanol?
The InChIKey is UJMCIHAXKNUKRP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H25F2NO/c1-15(16,17)11-12-5-7-13(8-6-12)14(19)18-9-3-2-4-10-18/h5,7,12-14,19H,2-4,6,8-11H2,1H3.
What are the key properties of [4-(2,2-difluoropropyl)cyclohex-2-en-1-yl]-piperidin-1-ylmethanol?
[4-(2,2-difluoropropyl)cyclohex-2-en-1-yl]-piperidin-1-ylmethanol has a molecular weight of 273.37 g/mol, XLogP of 3.42, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(2,2-difluoropropyl)cyclohex-2-en-1-yl]-piperidin-1-ylmethanol is sourced from PubChem (CID 143734278), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).