(1-cyclohex-2-en-1-yl-3-fluoropiperidin-3-yl)methanol

C12H20FNO — CID 126770405

IUPAC(1-cyclohex-2-en-1-yl-3-fluoropiperidin-3-yl)methanol
SMILESOCC1(F)CCCN(C2C=CCCC2)C1
InChIInChI=1S/C12H20FNO/c13-12(10-15)7-4-8-14(9-12)11-5-2-1-3-6-11/h2,5,11,15H,1,3-4,6-10H2
InChIKeyUXZLRAVUCAXMMF-UHFFFAOYSA-N
MW213.30 g/mol
LogP1.89
Rot. Bonds2

About (1-cyclohex-2-en-1-yl-3-fluoropiperidin-3-yl)methanol

(1-cyclohex-2-en-1-yl-3-fluoropiperidin-3-yl)methanol (PubChem CID 126770405) has the molecular formula C12H20FNO and a molecular weight of 213.30 g/mol. Its IUPAC name is (1-cyclohex-2-en-1-yl-3-fluoropiperidin-3-yl)methanol.

Molecular Properties

Compound Name(1-cyclohex-2-en-1-yl-3-fluoropiperidin-3-yl)methanol
PubChem CID126770405
Molecular FormulaC12H20FNO
Molecular Weight213.30 g/mol
Exact Mass213.15
IUPAC Name(1-cyclohex-2-en-1-yl-3-fluoropiperidin-3-yl)methanol
SMILESOCC1(F)CCCN(C2C=CCCC2)C1
InChIInChI=1S/C12H20FNO/c13-12(10-15)7-4-8-14(9-12)11-5-2-1-3-6-11/h2,5,11,15H,1,3-4,6-10H2
InChIKeyUXZLRAVUCAXMMF-UHFFFAOYSA-N
XLogP1.89
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.30
LogP ≤ 51.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

CID 56789997
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CID 124291656
CID 124291657
CID 124291657
CID 124291658
CID 124291658
CID 130734798
CID 130734798
CID 123856754
CID 123856754
CID 24052581
CID 24052581
CID 40470980
CID 40470980
CID 40470982
CID 40470982
CID 95626166
CID 95626166
CID 95626167
CID 95626167

Frequently Asked Questions

What is the IUPAC name of (1-cyclohex-2-en-1-yl-3-fluoropiperidin-3-yl)methanol?
The IUPAC name of (1-cyclohex-2-en-1-yl-3-fluoropiperidin-3-yl)methanol (CID 126770405) is (1-cyclohex-2-en-1-yl-3-fluoropiperidin-3-yl)methanol.
What is the SMILES notation for (1-cyclohex-2-en-1-yl-3-fluoropiperidin-3-yl)methanol?
The canonical SMILES for (1-cyclohex-2-en-1-yl-3-fluoropiperidin-3-yl)methanol is OCC1(F)CCCN(C2C=CCCC2)C1.
What is the InChIKey of (1-cyclohex-2-en-1-yl-3-fluoropiperidin-3-yl)methanol?
The InChIKey is UXZLRAVUCAXMMF-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20FNO/c13-12(10-15)7-4-8-14(9-12)11-5-2-1-3-6-11/h2,5,11,15H,1,3-4,6-10H2.
What are the key properties of (1-cyclohex-2-en-1-yl-3-fluoropiperidin-3-yl)methanol?
(1-cyclohex-2-en-1-yl-3-fluoropiperidin-3-yl)methanol has a molecular weight of 213.30 g/mol, XLogP of 1.89, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1-cyclohex-2-en-1-yl-3-fluoropiperidin-3-yl)methanol is sourced from PubChem (CID 126770405), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).