[1-(2-ethyl-2-fluorobutyl)piperidin-4-yl]methanol

C12H24FNO — CID 126970545

IUPAC[1-(2-ethyl-2-fluorobutyl)piperidin-4-yl]methanol
SMILESCCC(F)(CC)CN1CCC(CO)CC1
InChIInChI=1S/C12H24FNO/c1-3-12(13,4-2)10-14-7-5-11(9-15)6-8-14/h11,15H,3-10H2,1-2H3
InChIKeyBWIKDAIOVWPUQX-UHFFFAOYSA-N
MW217.33 g/mol
LogP2.22
Rot. Bonds5

About [1-(2-ethyl-2-fluorobutyl)piperidin-4-yl]methanol

[1-(2-ethyl-2-fluorobutyl)piperidin-4-yl]methanol (PubChem CID 126970545) has the molecular formula C12H24FNO and a molecular weight of 217.33 g/mol. Its IUPAC name is [1-(2-ethyl-2-fluorobutyl)piperidin-4-yl]methanol.

Molecular Properties

Compound Name[1-(2-ethyl-2-fluorobutyl)piperidin-4-yl]methanol
PubChem CID126970545
Molecular FormulaC12H24FNO
Molecular Weight217.33 g/mol
Exact Mass217.18
IUPAC Name[1-(2-ethyl-2-fluorobutyl)piperidin-4-yl]methanol
SMILESCCC(F)(CC)CN1CCC(CO)CC1
InChIInChI=1S/C12H24FNO/c1-3-12(13,4-2)10-14-7-5-11(9-15)6-8-14/h11,15H,3-10H2,1-2H3
InChIKeyBWIKDAIOVWPUQX-UHFFFAOYSA-N
XLogP2.22
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500217.33
LogP ≤ 52.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-ethyl-2-[[4-(hydroxymethyl)piperidin-1-yl]methyl]butan-1-ol
CID 62272730
1-(2,2-difluorobutyl)-4-ethylpiperidine
CID 123670670
N-[[1-(2,2,2-trifluoroethyl)piperidin-4-yl]methyl]ethanamine
CID 62593089
[1-[2-(aminomethyl)-2-methylbutyl]pyrrolidin-3-yl]methanol
CID 112629027
[1-[2-ethyl-2-(methylaminomethyl)butyl]pyrrolidin-3-yl]methanol
CID 112629064
[1-[2-(diethylamino)ethyl]piperidin-4-yl]methanol
CID 62020074
[1-(2-ethylsulfanylethyl)piperidin-4-yl]methanol
CID 111432876
2,2-difluoro-3-(4-propan-2-ylpiperidin-1-yl)propan-1-ol
CID 174183157
methyl 4-[4-[[1-(2-ethyl-2-fluorobutyl)piperidin-4-yl]methoxy]phenyl]-3-fluorobenzoate
CID 90018415
[1-[(2S)-2-aminopropyl]piperidin-4-yl]methanol
CID 22689432
2,2,2-trifluoro-1-[4-(hydroxymethyl)piperidin-1-yl]ethanone
CID 10330779
2-amino-2-methyl-3-(4-propylpiperidin-1-yl)propan-1-ol
CID 64786452

Frequently Asked Questions

What is the IUPAC name of [1-(2-ethyl-2-fluorobutyl)piperidin-4-yl]methanol?
The IUPAC name of [1-(2-ethyl-2-fluorobutyl)piperidin-4-yl]methanol (CID 126970545) is [1-(2-ethyl-2-fluorobutyl)piperidin-4-yl]methanol.
What is the SMILES notation for [1-(2-ethyl-2-fluorobutyl)piperidin-4-yl]methanol?
The canonical SMILES for [1-(2-ethyl-2-fluorobutyl)piperidin-4-yl]methanol is CCC(F)(CC)CN1CCC(CO)CC1.
What is the InChIKey of [1-(2-ethyl-2-fluorobutyl)piperidin-4-yl]methanol?
The InChIKey is BWIKDAIOVWPUQX-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H24FNO/c1-3-12(13,4-2)10-14-7-5-11(9-15)6-8-14/h11,15H,3-10H2,1-2H3.
What are the key properties of [1-(2-ethyl-2-fluorobutyl)piperidin-4-yl]methanol?
[1-(2-ethyl-2-fluorobutyl)piperidin-4-yl]methanol has a molecular weight of 217.33 g/mol, XLogP of 2.22, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(2-ethyl-2-fluorobutyl)piperidin-4-yl]methanol is sourced from PubChem (CID 126970545), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).