1-benzyl-5-fluoropiperidin-3-ol;ethane

C14H22FNO — CID 156839971

IUPAC1-benzyl-5-fluoropiperidin-3-ol;ethane
SMILESCC.OC1CC(F)CN(Cc2ccccc2)C1
InChIInChI=1S/C12H16FNO.C2H6/c13-11-6-12(15)9-14(8-11)7-10-4-2-1-3-5-10;1-2/h1-5,11-12,15H,6-9H2;1-2H3
InChIKeyKBAQEFFMGJMUED-UHFFFAOYSA-N
MW239.33 g/mol
LogP2.62
Rot. Bonds2

About 1-benzyl-5-fluoropiperidin-3-ol;ethane

1-benzyl-5-fluoropiperidin-3-ol;ethane (PubChem CID 156839971) has the molecular formula C14H22FNO and a molecular weight of 239.33 g/mol. Its IUPAC name is 1-benzyl-5-fluoropiperidin-3-ol;ethane.

Molecular Properties

Compound Name1-benzyl-5-fluoropiperidin-3-ol;ethane
PubChem CID156839971
Molecular FormulaC14H22FNO
Molecular Weight239.33 g/mol
Exact Mass239.17
IUPAC Name1-benzyl-5-fluoropiperidin-3-ol;ethane
SMILESCC.OC1CC(F)CN(Cc2ccccc2)C1
InChIInChI=1S/C12H16FNO.C2H6/c13-11-6-12(15)9-14(8-11)7-10-4-2-1-3-5-10;1-2/h1-5,11-12,15H,6-9H2;1-2H3
InChIKeyKBAQEFFMGJMUED-UHFFFAOYSA-N
XLogP2.62
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.33
LogP ≤ 52.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

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CID 12900714
1-benzyl-5-(difluoromethyl)piperidin-3-ol
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(5R)-1-benzyl-3-fluoro-5-phenylmethoxypiperidine
CID 130275873
1-benzylazepane-3,4,5,6-tetrol
CID 18417354
(3S,4R,5R,6S)-1-benzylazepane-3,4,5,6-tetrol
CID 10824756
(1S,5S)-3-benzyl-3-azabicyclo[3.1.0]hexane
CID 98048046
6-amino-1-benzylazepan-3-ol
CID 83486567
(3R,5R)-1-benzyl-5-trityloxypiperidin-3-ol
CID 11561465
1-benzyl-4-ethylpyrrolidin-3-ol
CID 18939335
(3S,4R)-1-benzyl-4-ethylpyrrolidin-3-ol
CID 57045077
1-benzyl-3,3-difluoro-5,5-dimethylpiperidin-4-ol
CID 131168959
(3R,5R)-1-benzyl-3-ethylpiperidine-3,5-diol
CID 100975569

Frequently Asked Questions

What is the IUPAC name of 1-benzyl-5-fluoropiperidin-3-ol;ethane?
The IUPAC name of 1-benzyl-5-fluoropiperidin-3-ol;ethane (CID 156839971) is 1-benzyl-5-fluoropiperidin-3-ol;ethane.
What is the SMILES notation for 1-benzyl-5-fluoropiperidin-3-ol;ethane?
The canonical SMILES for 1-benzyl-5-fluoropiperidin-3-ol;ethane is CC.OC1CC(F)CN(Cc2ccccc2)C1.
What is the InChIKey of 1-benzyl-5-fluoropiperidin-3-ol;ethane?
The InChIKey is KBAQEFFMGJMUED-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16FNO.C2H6/c13-11-6-12(15)9-14(8-11)7-10-4-2-1-3-5-10;1-2/h1-5,11-12,15H,6-9H2;1-2H3.
What are the key properties of 1-benzyl-5-fluoropiperidin-3-ol;ethane?
1-benzyl-5-fluoropiperidin-3-ol;ethane has a molecular weight of 239.33 g/mol, XLogP of 2.62, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-benzyl-5-fluoropiperidin-3-ol;ethane is sourced from PubChem (CID 156839971), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).