(5-fluoro-4-propan-2-yloxy-3-pyridinyl)-[(2R)-piperidin-2-yl]methanol;hydrochloride

C14H22ClFN2O2 — CID 178103159

IUPAC(5-fluoro-4-propan-2-yloxy-3-pyridinyl)-[(2R)-piperidin-2-yl]methanol;hydrochloride
SMILESCC(C)Oc1c(F)cncc1C(O)[C@H]1CCCCN1.Cl
InChIInChI=1S/C14H21FN2O2.ClH/c1-9(2)19-14-10(7-16-8-11(14)15)13(18)12-5-3-4-6-17-12;/h7-9,12-13,17-18H,3-6H2,1-2H3;1H/t12-,13?;/m1./s1
InChIKeyQTFYLVIEIJYTCA-QPWPOBFOSA-N
MW304.79 g/mol
LogP2.61
Rot. Bonds4

About (5-fluoro-4-propan-2-yloxy-3-pyridinyl)-[(2R)-piperidin-2-yl]methanol;hydrochloride

(5-fluoro-4-propan-2-yloxy-3-pyridinyl)-[(2R)-piperidin-2-yl]methanol;hydrochloride (PubChem CID 178103159) has the molecular formula C14H22ClFN2O2 and a molecular weight of 304.79 g/mol. Its IUPAC name is (5-fluoro-4-propan-2-yloxy-3-pyridinyl)-[(2R)-piperidin-2-yl]methanol;hydrochloride.

Molecular Properties

Compound Name(5-fluoro-4-propan-2-yloxy-3-pyridinyl)-[(2R)-piperidin-2-yl]methanol;hydrochloride
PubChem CID178103159
Molecular FormulaC14H22ClFN2O2
Molecular Weight304.79 g/mol
Exact Mass304.14
IUPAC Name(5-fluoro-4-propan-2-yloxy-3-pyridinyl)-[(2R)-piperidin-2-yl]methanol;hydrochloride
SMILESCC(C)Oc1c(F)cncc1C(O)[C@H]1CCCCN1.Cl
InChIInChI=1S/C14H21FN2O2.ClH/c1-9(2)19-14-10(7-16-8-11(14)15)13(18)12-5-3-4-6-17-12;/h7-9,12-13,17-18H,3-6H2,1-2H3;1H/t12-,13?;/m1./s1
InChIKeyQTFYLVIEIJYTCA-QPWPOBFOSA-N
XLogP2.61
TPSA54.38 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.79
LogP ≤ 52.61
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

3-fluoro-5-[methoxy(piperidin-2-yl)methyl]-4-propan-2-yloxypyridine
CID 178103305
piperidin-2-yl-(5-propan-2-yloxy-3-pyridinyl)methanol
CID 106634630
(5-propan-2-yloxy-3-pyridinyl)-pyrrolidin-2-ylmethanol
CID 106639944
(2-chloro-4,5-difluorophenyl)-piperidin-2-ylmethanol
CID 107476748
(4-bromo-2,5-difluorophenyl)-piperidin-2-ylmethanol
CID 64866828
pyrrolidin-2-yl-(2,4,5-trifluorophenyl)methanol
CID 103303135
isoquinolin-5-yl(piperidin-2-yl)methanol
CID 106634641
2-(azepan-2-yl)-1-(5-fluoro-2-pyridinyl)propan-1-ol
CID 112586842
(2-methoxy-3,5-dimethylphenyl)-piperidin-2-ylmethanol
CID 82341661
(R)-(2,3-difluorophenyl)-[(2S)-pyrrolidin-2-yl]methanol
CID 148871488
azepan-2-yl-(3-methylimidazol-4-yl)methanol
CID 66117137
2-[1-(3,4-difluorophenoxy)ethyl]piperidine
CID 117051161

Frequently Asked Questions

What is the IUPAC name of (5-fluoro-4-propan-2-yloxy-3-pyridinyl)-[(2R)-piperidin-2-yl]methanol;hydrochloride?
The IUPAC name of (5-fluoro-4-propan-2-yloxy-3-pyridinyl)-[(2R)-piperidin-2-yl]methanol;hydrochloride (CID 178103159) is (5-fluoro-4-propan-2-yloxy-3-pyridinyl)-[(2R)-piperidin-2-yl]methanol;hydrochloride.
What is the SMILES notation for (5-fluoro-4-propan-2-yloxy-3-pyridinyl)-[(2R)-piperidin-2-yl]methanol;hydrochloride?
The canonical SMILES for (5-fluoro-4-propan-2-yloxy-3-pyridinyl)-[(2R)-piperidin-2-yl]methanol;hydrochloride is CC(C)Oc1c(F)cncc1C(O)[C@H]1CCCCN1.Cl.
What is the InChIKey of (5-fluoro-4-propan-2-yloxy-3-pyridinyl)-[(2R)-piperidin-2-yl]methanol;hydrochloride?
The InChIKey is QTFYLVIEIJYTCA-QPWPOBFOSA-N. The full InChI is InChI=1S/C14H21FN2O2.ClH/c1-9(2)19-14-10(7-16-8-11(14)15)13(18)12-5-3-4-6-17-12;/h7-9,12-13,17-18H,3-6H2,1-2H3;1H/t12-,13?;/m1./s1.
What are the key properties of (5-fluoro-4-propan-2-yloxy-3-pyridinyl)-[(2R)-piperidin-2-yl]methanol;hydrochloride?
(5-fluoro-4-propan-2-yloxy-3-pyridinyl)-[(2R)-piperidin-2-yl]methanol;hydrochloride has a molecular weight of 304.79 g/mol, XLogP of 2.61, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (5-fluoro-4-propan-2-yloxy-3-pyridinyl)-[(2R)-piperidin-2-yl]methanol;hydrochloride is sourced from PubChem (CID 178103159), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).