4-[(3S,4S)-3-fluoropiperidin-4-yl]-4-methylcyclohexa-1,5-dien-1-ol

C12H18FNO — CID 138572978

IUPAC4-[(3S,4S)-3-fluoropiperidin-4-yl]-4-methylcyclohexa-1,5-dien-1-ol
SMILESCC1([C@@H]2CCNC[C@H]2F)C=CC(O)=CC1
InChIInChI=1S/C12H18FNO/c1-12(5-2-9(15)3-6-12)10-4-7-14-8-11(10)13/h2-3,5,10-11,14-15H,4,6-8H2,1H3/t10-,11-,12?/m1/s1
InChIKeyUOVWOMJRLOYNQV-XFKKCKKNSA-N
MW211.28 g/mol
LogP2.34
Rot. Bonds1

About 4-[(3S,4S)-3-fluoropiperidin-4-yl]-4-methylcyclohexa-1,5-dien-1-ol

4-[(3S,4S)-3-fluoropiperidin-4-yl]-4-methylcyclohexa-1,5-dien-1-ol (PubChem CID 138572978) has the molecular formula C12H18FNO and a molecular weight of 211.28 g/mol. Its IUPAC name is 4-[(3S,4S)-3-fluoropiperidin-4-yl]-4-methylcyclohexa-1,5-dien-1-ol.

Molecular Properties

Compound Name4-[(3S,4S)-3-fluoropiperidin-4-yl]-4-methylcyclohexa-1,5-dien-1-ol
PubChem CID138572978
Molecular FormulaC12H18FNO
Molecular Weight211.28 g/mol
Exact Mass211.14
IUPAC Name4-[(3S,4S)-3-fluoropiperidin-4-yl]-4-methylcyclohexa-1,5-dien-1-ol
SMILESCC1([C@@H]2CCNC[C@H]2F)C=CC(O)=CC1
InChIInChI=1S/C12H18FNO/c1-12(5-2-9(15)3-6-12)10-4-7-14-8-11(10)13/h2-3,5,10-11,14-15H,4,6-8H2,1H3/t10-,11-,12?/m1/s1
InChIKeyUOVWOMJRLOYNQV-XFKKCKKNSA-N
XLogP2.34
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.28
LogP ≤ 52.34
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-[(3S,4S)-3-fluoropiperidin-4-yl]-4-methylcyclohexa-1,5-dien-1-ol?
The IUPAC name of 4-[(3S,4S)-3-fluoropiperidin-4-yl]-4-methylcyclohexa-1,5-dien-1-ol (CID 138572978) is 4-[(3S,4S)-3-fluoropiperidin-4-yl]-4-methylcyclohexa-1,5-dien-1-ol.
What is the SMILES notation for 4-[(3S,4S)-3-fluoropiperidin-4-yl]-4-methylcyclohexa-1,5-dien-1-ol?
The canonical SMILES for 4-[(3S,4S)-3-fluoropiperidin-4-yl]-4-methylcyclohexa-1,5-dien-1-ol is CC1([C@@H]2CCNC[C@H]2F)C=CC(O)=CC1.
What is the InChIKey of 4-[(3S,4S)-3-fluoropiperidin-4-yl]-4-methylcyclohexa-1,5-dien-1-ol?
The InChIKey is UOVWOMJRLOYNQV-XFKKCKKNSA-N. The full InChI is InChI=1S/C12H18FNO/c1-12(5-2-9(15)3-6-12)10-4-7-14-8-11(10)13/h2-3,5,10-11,14-15H,4,6-8H2,1H3/t10-,11-,12?/m1/s1.
What are the key properties of 4-[(3S,4S)-3-fluoropiperidin-4-yl]-4-methylcyclohexa-1,5-dien-1-ol?
4-[(3S,4S)-3-fluoropiperidin-4-yl]-4-methylcyclohexa-1,5-dien-1-ol has a molecular weight of 211.28 g/mol, XLogP of 2.34, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(3S,4S)-3-fluoropiperidin-4-yl]-4-methylcyclohexa-1,5-dien-1-ol is sourced from PubChem (CID 138572978), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).