[3-fluoro-1-(2-hydroxyethyl)piperidin-4-yl] N-benzylcarbamate

C15H21FN2O3 — CID 175263184

IUPAC[3-fluoro-1-(2-hydroxyethyl)piperidin-4-yl] N-benzylcarbamate
SMILESO=C(NCc1ccccc1)OC1CCN(CCO)CC1F
InChIInChI=1S/C15H21FN2O3/c16-13-11-18(8-9-19)7-6-14(13)21-15(20)17-10-12-4-2-1-3-5-12/h1-5,13-14,19H,6-11H2,(H,17,20)
InChIKeyHWCARLQONPSBTB-UHFFFAOYSA-N
MW296.34 g/mol
LogP1.32
Rot. Bonds5

About [3-fluoro-1-(2-hydroxyethyl)piperidin-4-yl] N-benzylcarbamate

[3-fluoro-1-(2-hydroxyethyl)piperidin-4-yl] N-benzylcarbamate (PubChem CID 175263184) has the molecular formula C15H21FN2O3 and a molecular weight of 296.34 g/mol. Its IUPAC name is [3-fluoro-1-(2-hydroxyethyl)piperidin-4-yl] N-benzylcarbamate.

Molecular Properties

Compound Name[3-fluoro-1-(2-hydroxyethyl)piperidin-4-yl] N-benzylcarbamate
PubChem CID175263184
Molecular FormulaC15H21FN2O3
Molecular Weight296.34 g/mol
Exact Mass296.15
IUPAC Name[3-fluoro-1-(2-hydroxyethyl)piperidin-4-yl] N-benzylcarbamate
SMILESO=C(NCc1ccccc1)OC1CCN(CCO)CC1F
InChIInChI=1S/C15H21FN2O3/c16-13-11-18(8-9-19)7-6-14(13)21-15(20)17-10-12-4-2-1-3-5-12/h1-5,13-14,19H,6-11H2,(H,17,20)
InChIKeyHWCARLQONPSBTB-UHFFFAOYSA-N
XLogP1.32
TPSA61.80 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.34
LogP ≤ 51.32
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

[(3R)-1-azabicyclo[2.2.2]octan-3-yl] N-benzylcarbamate
CID 144638928
(2-hydroxycyclohexyl) N-benzylcarbamate
CID 174552580
(2-aminocyclohexyl) N-benzylcarbamate
CID 107654721
[1-[3-(2,6-dioxopiperidin-1-yl)propyl]piperidin-4-yl] N-benzylcarbamate
CID 91333736
[2-(methylamino)cyclohexyl] N-benzylcarbamate
CID 107654729
[(1S,2S)-2-(2,5-dioxopyrrol-1-yl)cyclopentyl] N-benzylcarbamate
CID 66880105
benzyl N-[(3S)-1-(2-hydroxyethyl)pyrrolidin-3-yl]carbamate
CID 66566464
[(3S,4S)-3-(hydroxymethyl)oxan-4-yl] N-benzylcarbamate
CID 70818689
(2,2-difluorospiro[2.5]octan-6-yl) N-benzylcarbamate
CID 177145440
(3S,4R)-1-(2-hydroxyethyl)-4-(phenylmethoxycarbonylamino)piperidine-3-carboxylic acid
CID 67503446
[(2R)-8-oxo-7-azatricyclo[7.2.1.02,7]dodecan-11-yl] N-benzylcarbamate
CID 53301160
benzyl N-cyclopropyl-N-[1-(2-hydroxyethyl)pyrrolidin-3-yl]carbamate
CID 66566520

Frequently Asked Questions

What is the IUPAC name of [3-fluoro-1-(2-hydroxyethyl)piperidin-4-yl] N-benzylcarbamate?
The IUPAC name of [3-fluoro-1-(2-hydroxyethyl)piperidin-4-yl] N-benzylcarbamate (CID 175263184) is [3-fluoro-1-(2-hydroxyethyl)piperidin-4-yl] N-benzylcarbamate.
What is the SMILES notation for [3-fluoro-1-(2-hydroxyethyl)piperidin-4-yl] N-benzylcarbamate?
The canonical SMILES for [3-fluoro-1-(2-hydroxyethyl)piperidin-4-yl] N-benzylcarbamate is O=C(NCc1ccccc1)OC1CCN(CCO)CC1F.
What is the InChIKey of [3-fluoro-1-(2-hydroxyethyl)piperidin-4-yl] N-benzylcarbamate?
The InChIKey is HWCARLQONPSBTB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21FN2O3/c16-13-11-18(8-9-19)7-6-14(13)21-15(20)17-10-12-4-2-1-3-5-12/h1-5,13-14,19H,6-11H2,(H,17,20).
What are the key properties of [3-fluoro-1-(2-hydroxyethyl)piperidin-4-yl] N-benzylcarbamate?
[3-fluoro-1-(2-hydroxyethyl)piperidin-4-yl] N-benzylcarbamate has a molecular weight of 296.34 g/mol, XLogP of 1.32, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [3-fluoro-1-(2-hydroxyethyl)piperidin-4-yl] N-benzylcarbamate is sourced from PubChem (CID 175263184), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).