1-(4-fluoropiperidin-1-yl)-3-(4-methylpiperidin-1-yl)oxypropan-2-ol

C14H27FN2O2 — CID 171852942

IUPAC1-(4-fluoropiperidin-1-yl)-3-(4-methylpiperidin-1-yl)oxypropan-2-ol
SMILESCC1CCN(OCC(O)CN2CCC(F)CC2)CC1
InChIInChI=1S/C14H27FN2O2/c1-12-2-8-17(9-3-12)19-11-14(18)10-16-6-4-13(15)5-7-16/h12-14,18H,2-11H2,1H3
InChIKeyFEFDKNCSHZFNCD-UHFFFAOYSA-N
MW274.38 g/mol
LogP1.44
Rot. Bonds5

About 1-(4-fluoropiperidin-1-yl)-3-(4-methylpiperidin-1-yl)oxypropan-2-ol

1-(4-fluoropiperidin-1-yl)-3-(4-methylpiperidin-1-yl)oxypropan-2-ol (PubChem CID 171852942) has the molecular formula C14H27FN2O2 and a molecular weight of 274.38 g/mol. Its IUPAC name is 1-(4-fluoropiperidin-1-yl)-3-(4-methylpiperidin-1-yl)oxypropan-2-ol.

Molecular Properties

Compound Name1-(4-fluoropiperidin-1-yl)-3-(4-methylpiperidin-1-yl)oxypropan-2-ol
PubChem CID171852942
Molecular FormulaC14H27FN2O2
Molecular Weight274.38 g/mol
Exact Mass274.21
IUPAC Name1-(4-fluoropiperidin-1-yl)-3-(4-methylpiperidin-1-yl)oxypropan-2-ol
SMILESCC1CCN(OCC(O)CN2CCC(F)CC2)CC1
InChIInChI=1S/C14H27FN2O2/c1-12-2-8-17(9-3-12)19-11-14(18)10-16-6-4-13(15)5-7-16/h12-14,18H,2-11H2,1H3
InChIKeyFEFDKNCSHZFNCD-UHFFFAOYSA-N
XLogP1.44
TPSA35.94 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.38
LogP ≤ 51.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-cyclohexyloxy-3-(4-methylpiperidin-1-yl)propan-2-ol;hydrochloride
CID 44782571
1-[4-(hydroxymethyl)piperidin-1-yl]-3-(4-methylpiperidin-1-yl)propan-2-ol
CID 111105900
1-(2-bromophenoxy)-3-(4-methylpiperidin-1-yl)propan-2-ol
CID 4085306
1-(2-fluorophenoxy)-3-(4-methylpiperidin-1-yl)propan-2-ol;hydrochloride
CID 45126222
1-(4-methylpiperidin-1-yl)-3-phenylmethoxypropan-2-ol
CID 2834350
(2S)-1-[4-[(2S)-2-hydroxy-3-(4-methylpiperidin-1-yl)propyl]piperazin-1-yl]-3,3-dimethylbutan-2-ol
CID 95327073
(2R)-1-[4-[(2S)-2-hydroxy-3-(4-methylpiperidin-1-yl)propyl]piperazin-1-yl]-3,3-dimethylbutan-2-ol
CID 95327071
(2S)-1-(2-methylphenoxy)-3-(4-methylpiperidin-1-yl)propan-2-ol
CID 769296
1-(2,6-dimethylphenoxy)-3-(4-methylpiperidin-1-yl)propan-2-ol chloride
CID 21237803
(2S)-1-(4-methylpiperidin-1-yl)-3-[(1R,2R,5R)-5-methyl-2-propan-2-ylcyclohexyl]oxypropan-2-ol
CID 11869272
1-(1-methoxypropan-2-ylamino)-3-(4-methylpiperidin-1-yl)propan-2-ol
CID 110904891
1-chloro-3-(4-methylazepan-1-yl)propan-2-ol
CID 112561671

Frequently Asked Questions

What is the IUPAC name of 1-(4-fluoropiperidin-1-yl)-3-(4-methylpiperidin-1-yl)oxypropan-2-ol?
The IUPAC name of 1-(4-fluoropiperidin-1-yl)-3-(4-methylpiperidin-1-yl)oxypropan-2-ol (CID 171852942) is 1-(4-fluoropiperidin-1-yl)-3-(4-methylpiperidin-1-yl)oxypropan-2-ol.
What is the SMILES notation for 1-(4-fluoropiperidin-1-yl)-3-(4-methylpiperidin-1-yl)oxypropan-2-ol?
The canonical SMILES for 1-(4-fluoropiperidin-1-yl)-3-(4-methylpiperidin-1-yl)oxypropan-2-ol is CC1CCN(OCC(O)CN2CCC(F)CC2)CC1.
What is the InChIKey of 1-(4-fluoropiperidin-1-yl)-3-(4-methylpiperidin-1-yl)oxypropan-2-ol?
The InChIKey is FEFDKNCSHZFNCD-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H27FN2O2/c1-12-2-8-17(9-3-12)19-11-14(18)10-16-6-4-13(15)5-7-16/h12-14,18H,2-11H2,1H3.
What are the key properties of 1-(4-fluoropiperidin-1-yl)-3-(4-methylpiperidin-1-yl)oxypropan-2-ol?
1-(4-fluoropiperidin-1-yl)-3-(4-methylpiperidin-1-yl)oxypropan-2-ol has a molecular weight of 274.38 g/mol, XLogP of 1.44, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-fluoropiperidin-1-yl)-3-(4-methylpiperidin-1-yl)oxypropan-2-ol is sourced from PubChem (CID 171852942), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).