1-(2-fluorophenoxy)-3-(4-methylpiperidin-1-yl)propan-2-ol;hydrochloride

C15H23ClFNO2 — CID 45126222

IUPAC1-(2-fluorophenoxy)-3-(4-methylpiperidin-1-yl)propan-2-ol;hydrochloride
SMILESCC1CCN(CC(O)COc2ccccc2F)CC1.Cl
InChIInChI=1S/C15H22FNO2.ClH/c1-12-6-8-17(9-7-12)10-13(18)11-19-15-5-3-2-4-14(15)16;/h2-5,12-13,18H,6-11H2,1H3;1H
InChIKeyAFZRDUXQKQKGJI-UHFFFAOYSA-N
MW303.80 g/mol
LogP2.72
Rot. Bonds5

About 1-(2-fluorophenoxy)-3-(4-methylpiperidin-1-yl)propan-2-ol;hydrochloride

1-(2-fluorophenoxy)-3-(4-methylpiperidin-1-yl)propan-2-ol;hydrochloride (PubChem CID 45126222) has the molecular formula C15H23ClFNO2 and a molecular weight of 303.80 g/mol. Its IUPAC name is 1-(2-fluorophenoxy)-3-(4-methylpiperidin-1-yl)propan-2-ol;hydrochloride.

Molecular Properties

Compound Name1-(2-fluorophenoxy)-3-(4-methylpiperidin-1-yl)propan-2-ol;hydrochloride
PubChem CID45126222
Molecular FormulaC15H23ClFNO2
Molecular Weight303.80 g/mol
Exact Mass303.14
IUPAC Name1-(2-fluorophenoxy)-3-(4-methylpiperidin-1-yl)propan-2-ol;hydrochloride
SMILESCC1CCN(CC(O)COc2ccccc2F)CC1.Cl
InChIInChI=1S/C15H22FNO2.ClH/c1-12-6-8-17(9-7-12)10-13(18)11-19-15-5-3-2-4-14(15)16;/h2-5,12-13,18H,6-11H2,1H3;1H
InChIKeyAFZRDUXQKQKGJI-UHFFFAOYSA-N
XLogP2.72
TPSA32.70 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.80
LogP ≤ 52.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(2S)-1-(2-methylphenoxy)-3-(4-methylpiperidin-1-yl)propan-2-ol
CID 769296
1-(2-fluorophenoxy)-3-(3-methylpiperidin-1-yl)propan-2-ol
CID 3659665
(2R)-1-[(3S,5R)-3,5-dimethylpiperidin-1-yl]-3-(2-fluorophenoxy)propan-2-ol
CID 27044185
1-(2-chlorophenoxy)-3-(4-methylpiperidin-1-yl)propan-2-ol
CID 18823227
1-(2-bromophenoxy)-3-(4-methylpiperidin-1-yl)propan-2-ol
CID 4085306
(2R)-1-(2-fluorophenoxy)-3-[4-(2-methoxyphenyl)piperazin-1-yl]propan-2-ol
CID 1033127
1-(4-methylpiperidin-1-yl)-3-(4-phenylphenoxy)propan-2-ol
CID 2939361
(2R)-1-(2-fluorophenoxy)-3-[(3S)-3-(methylsulfanylmethyl)piperidin-1-yl]propan-2-ol
CID 124888330
1-[4-(1,3-benzothiazol-2-yl)piperidin-1-yl]-3-(2-fluorophenoxy)propan-2-ol
CID 18081735
(2R)-1-(4-methylpiperidin-1-yl)-3-[2-(1,3,4-oxadiazol-2-yl)phenoxy]propan-2-ol
CID 97243462
1-(2,6-dimethylphenoxy)-3-(4-methylpiperidin-1-yl)propan-2-ol chloride
CID 21237803
1-[2-hydroxy-3-(2-methylphenoxy)propyl]piperidin-4-ol
CID 110877353

Frequently Asked Questions

What is the IUPAC name of 1-(2-fluorophenoxy)-3-(4-methylpiperidin-1-yl)propan-2-ol;hydrochloride?
The IUPAC name of 1-(2-fluorophenoxy)-3-(4-methylpiperidin-1-yl)propan-2-ol;hydrochloride (CID 45126222) is 1-(2-fluorophenoxy)-3-(4-methylpiperidin-1-yl)propan-2-ol;hydrochloride.
What is the SMILES notation for 1-(2-fluorophenoxy)-3-(4-methylpiperidin-1-yl)propan-2-ol;hydrochloride?
The canonical SMILES for 1-(2-fluorophenoxy)-3-(4-methylpiperidin-1-yl)propan-2-ol;hydrochloride is CC1CCN(CC(O)COc2ccccc2F)CC1.Cl.
What is the InChIKey of 1-(2-fluorophenoxy)-3-(4-methylpiperidin-1-yl)propan-2-ol;hydrochloride?
The InChIKey is AFZRDUXQKQKGJI-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22FNO2.ClH/c1-12-6-8-17(9-7-12)10-13(18)11-19-15-5-3-2-4-14(15)16;/h2-5,12-13,18H,6-11H2,1H3;1H.
What are the key properties of 1-(2-fluorophenoxy)-3-(4-methylpiperidin-1-yl)propan-2-ol;hydrochloride?
1-(2-fluorophenoxy)-3-(4-methylpiperidin-1-yl)propan-2-ol;hydrochloride has a molecular weight of 303.80 g/mol, XLogP of 2.72, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-fluorophenoxy)-3-(4-methylpiperidin-1-yl)propan-2-ol;hydrochloride is sourced from PubChem (CID 45126222), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).