4-[(3R,4R)-3-fluoropiperidin-4-yl]cyclohexa-1,5-dien-1-ol

C11H16FNO — CID 138572976

IUPAC4-[(3R,4R)-3-fluoropiperidin-4-yl]cyclohexa-1,5-dien-1-ol
SMILESOC1=CCC([C@H]2CCNC[C@@H]2F)C=C1
InChIInChI=1S/C11H16FNO/c12-11-7-13-6-5-10(11)8-1-3-9(14)4-2-8/h1,3-4,8,10-11,13-14H,2,5-7H2/t8?,10-,11+/m1/s1
InChIKeyQQGOEBBCRLUSLE-JROPRLTOSA-N
MW197.25 g/mol
LogP1.95
Rot. Bonds1

About 4-[(3R,4R)-3-fluoropiperidin-4-yl]cyclohexa-1,5-dien-1-ol

4-[(3R,4R)-3-fluoropiperidin-4-yl]cyclohexa-1,5-dien-1-ol (PubChem CID 138572976) has the molecular formula C11H16FNO and a molecular weight of 197.25 g/mol. Its IUPAC name is 4-[(3R,4R)-3-fluoropiperidin-4-yl]cyclohexa-1,5-dien-1-ol.

Molecular Properties

Compound Name4-[(3R,4R)-3-fluoropiperidin-4-yl]cyclohexa-1,5-dien-1-ol
PubChem CID138572976
Molecular FormulaC11H16FNO
Molecular Weight197.25 g/mol
Exact Mass197.12
IUPAC Name4-[(3R,4R)-3-fluoropiperidin-4-yl]cyclohexa-1,5-dien-1-ol
SMILESOC1=CCC([C@H]2CCNC[C@@H]2F)C=C1
InChIInChI=1S/C11H16FNO/c12-11-7-13-6-5-10(11)8-1-3-9(14)4-2-8/h1,3-4,8,10-11,13-14H,2,5-7H2/t8?,10-,11+/m1/s1
InChIKeyQQGOEBBCRLUSLE-JROPRLTOSA-N
XLogP1.95
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500197.25
LogP ≤ 51.95
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-[(3R,4R)-3-fluoropiperidin-4-yl]cyclohexa-1,5-dien-1-ol?
The IUPAC name of 4-[(3R,4R)-3-fluoropiperidin-4-yl]cyclohexa-1,5-dien-1-ol (CID 138572976) is 4-[(3R,4R)-3-fluoropiperidin-4-yl]cyclohexa-1,5-dien-1-ol.
What is the SMILES notation for 4-[(3R,4R)-3-fluoropiperidin-4-yl]cyclohexa-1,5-dien-1-ol?
The canonical SMILES for 4-[(3R,4R)-3-fluoropiperidin-4-yl]cyclohexa-1,5-dien-1-ol is OC1=CCC([C@H]2CCNC[C@@H]2F)C=C1.
What is the InChIKey of 4-[(3R,4R)-3-fluoropiperidin-4-yl]cyclohexa-1,5-dien-1-ol?
The InChIKey is QQGOEBBCRLUSLE-JROPRLTOSA-N. The full InChI is InChI=1S/C11H16FNO/c12-11-7-13-6-5-10(11)8-1-3-9(14)4-2-8/h1,3-4,8,10-11,13-14H,2,5-7H2/t8?,10-,11+/m1/s1.
What are the key properties of 4-[(3R,4R)-3-fluoropiperidin-4-yl]cyclohexa-1,5-dien-1-ol?
4-[(3R,4R)-3-fluoropiperidin-4-yl]cyclohexa-1,5-dien-1-ol has a molecular weight of 197.25 g/mol, XLogP of 1.95, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(3R,4R)-3-fluoropiperidin-4-yl]cyclohexa-1,5-dien-1-ol is sourced from PubChem (CID 138572976), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).