1-[(3R,4R)-3-fluoropiperidin-4-yl]piperidin-4-ol

C10H19FN2O — CID 155345549

IUPAC1-[(3R,4R)-3-fluoropiperidin-4-yl]piperidin-4-ol
SMILESOC1CCN([C@@H]2CCNC[C@H]2F)CC1
InChIInChI=1S/C10H19FN2O/c11-9-7-12-4-1-10(9)13-5-2-8(14)3-6-13/h8-10,12,14H,1-7H2/t9-,10-/m1/s1
InChIKeyJUMMQSCCMCSRHI-NXEZZACHSA-N
MW202.27 g/mol
LogP0.14
Rot. Bonds1

About 1-[(3R,4R)-3-fluoropiperidin-4-yl]piperidin-4-ol

1-[(3R,4R)-3-fluoropiperidin-4-yl]piperidin-4-ol (PubChem CID 155345549) has the molecular formula C10H19FN2O and a molecular weight of 202.27 g/mol. Its IUPAC name is 1-[(3R,4R)-3-fluoropiperidin-4-yl]piperidin-4-ol.

Molecular Properties

Compound Name1-[(3R,4R)-3-fluoropiperidin-4-yl]piperidin-4-ol
PubChem CID155345549
Molecular FormulaC10H19FN2O
Molecular Weight202.27 g/mol
Exact Mass202.15
IUPAC Name1-[(3R,4R)-3-fluoropiperidin-4-yl]piperidin-4-ol
SMILESOC1CCN([C@@H]2CCNC[C@H]2F)CC1
InChIInChI=1S/C10H19FN2O/c11-9-7-12-4-1-10(9)13-5-2-8(14)3-6-13/h8-10,12,14H,1-7H2/t9-,10-/m1/s1
InChIKeyJUMMQSCCMCSRHI-NXEZZACHSA-N
XLogP0.14
TPSA35.50 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500202.27
LogP ≤ 50.14
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-[(3R,4R)-3-fluoropiperidin-4-yl]piperidin-4-ol?
The IUPAC name of 1-[(3R,4R)-3-fluoropiperidin-4-yl]piperidin-4-ol (CID 155345549) is 1-[(3R,4R)-3-fluoropiperidin-4-yl]piperidin-4-ol.
What is the SMILES notation for 1-[(3R,4R)-3-fluoropiperidin-4-yl]piperidin-4-ol?
The canonical SMILES for 1-[(3R,4R)-3-fluoropiperidin-4-yl]piperidin-4-ol is OC1CCN([C@@H]2CCNC[C@H]2F)CC1.
What is the InChIKey of 1-[(3R,4R)-3-fluoropiperidin-4-yl]piperidin-4-ol?
The InChIKey is JUMMQSCCMCSRHI-NXEZZACHSA-N. The full InChI is InChI=1S/C10H19FN2O/c11-9-7-12-4-1-10(9)13-5-2-8(14)3-6-13/h8-10,12,14H,1-7H2/t9-,10-/m1/s1.
What are the key properties of 1-[(3R,4R)-3-fluoropiperidin-4-yl]piperidin-4-ol?
1-[(3R,4R)-3-fluoropiperidin-4-yl]piperidin-4-ol has a molecular weight of 202.27 g/mol, XLogP of 0.14, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(3R,4R)-3-fluoropiperidin-4-yl]piperidin-4-ol is sourced from PubChem (CID 155345549), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).