4-[2-(3-fluoro-4-hydroxypiperidin-1-yl)ethyl]piperidine-1-carbonyl fluoride

C13H22F2N2O2 — CID 165116564

IUPAC4-[2-(3-fluoro-4-hydroxypiperidin-1-yl)ethyl]piperidine-1-carbonyl fluoride
SMILESO=C(F)N1CCC(CCN2CCC(O)C(F)C2)CC1
InChIInChI=1S/C13H22F2N2O2/c14-11-9-16(6-4-12(11)18)5-1-10-2-7-17(8-3-10)13(15)19/h10-12,18H,1-9H2
InChIKeyNNJOVEASXVSUBZ-UHFFFAOYSA-N
MW276.33 g/mol
LogP1.58
Rot. Bonds3

About 4-[2-(3-fluoro-4-hydroxypiperidin-1-yl)ethyl]piperidine-1-carbonyl fluoride

4-[2-(3-fluoro-4-hydroxypiperidin-1-yl)ethyl]piperidine-1-carbonyl fluoride (PubChem CID 165116564) has the molecular formula C13H22F2N2O2 and a molecular weight of 276.33 g/mol. Its IUPAC name is 4-[2-(3-fluoro-4-hydroxypiperidin-1-yl)ethyl]piperidine-1-carbonyl fluoride.

Molecular Properties

Compound Name4-[2-(3-fluoro-4-hydroxypiperidin-1-yl)ethyl]piperidine-1-carbonyl fluoride
PubChem CID165116564
Molecular FormulaC13H22F2N2O2
Molecular Weight276.33 g/mol
Exact Mass276.16
IUPAC Name4-[2-(3-fluoro-4-hydroxypiperidin-1-yl)ethyl]piperidine-1-carbonyl fluoride
SMILESO=C(F)N1CCC(CCN2CCC(O)C(F)C2)CC1
InChIInChI=1S/C13H22F2N2O2/c14-11-9-16(6-4-12(11)18)5-1-10-2-7-17(8-3-10)13(15)19/h10-12,18H,1-9H2
InChIKeyNNJOVEASXVSUBZ-UHFFFAOYSA-N
XLogP1.58
TPSA43.78 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.33
LogP ≤ 51.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acid_halide', 'substructure': 'N/A'}, {'alert_name': 'N-C-halo', 'substructure': 'N/A'}

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Related Compounds

1-[[1-(2,2,2-Trifluoroethyl)piperidin-4-yl]methyl]piperidin-4-ol
CID 157039324
4-[(3-Fluoro-4-propan-2-yloxypiperidin-1-yl)methyl]piperidine-1-carbonyl fluoride
CID 165116555
4-[(4-Propan-2-yloxypiperidin-1-yl)methyl]piperidine-1-carbonyl fluoride
CID 165116678
1-[(4-Fluoro-1-methylpiperidin-4-yl)methyl]piperidin-4-ol
CID 166834210
2-(4-Hydroxypiperidin-1-yl)-1-[3-(trifluoromethyl)piperidin-1-yl]ethanone
CID 110898328
1-Piperidin-1-yl-3-[4-(2,2,2-trifluoro-1-hydroxyethyl)piperidin-1-yl]propan-1-one
CID 112326865
1-[4-[(3-Fluoro-4-hydroxypiperidin-1-yl)methyl]piperidin-1-yl]-2-hydroxyethanone
CID 156707412
4-[(4-Ethoxy-3-fluoropiperidin-1-yl)methyl]piperidine-1-carbonyl fluoride
CID 156707628
1-[(1-Butylpiperidin-4-yl)methyl]-3-fluoropiperidin-4-ol
CID 165116509
1-[4-[2-(3-Fluoro-4-hydroxypiperidin-1-yl)ethyl]piperidin-1-yl]-2-methylpropan-1-one
CID 171550650
4-[(4-Hydroxypiperidin-1-yl)methyl]piperidine-1-carboxylic acid
CID 22047915
(4-Hydroxypiperidin-1-yl)-(4-methylpiperidin-1-yl)methanone
CID 58959877

Frequently Asked Questions

What is the IUPAC name of 4-[2-(3-fluoro-4-hydroxypiperidin-1-yl)ethyl]piperidine-1-carbonyl fluoride?
The IUPAC name of 4-[2-(3-fluoro-4-hydroxypiperidin-1-yl)ethyl]piperidine-1-carbonyl fluoride (CID 165116564) is 4-[2-(3-fluoro-4-hydroxypiperidin-1-yl)ethyl]piperidine-1-carbonyl fluoride.
What is the SMILES notation for 4-[2-(3-fluoro-4-hydroxypiperidin-1-yl)ethyl]piperidine-1-carbonyl fluoride?
The canonical SMILES for 4-[2-(3-fluoro-4-hydroxypiperidin-1-yl)ethyl]piperidine-1-carbonyl fluoride is O=C(F)N1CCC(CCN2CCC(O)C(F)C2)CC1.
What is the InChIKey of 4-[2-(3-fluoro-4-hydroxypiperidin-1-yl)ethyl]piperidine-1-carbonyl fluoride?
The InChIKey is NNJOVEASXVSUBZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22F2N2O2/c14-11-9-16(6-4-12(11)18)5-1-10-2-7-17(8-3-10)13(15)19/h10-12,18H,1-9H2.
What are the key properties of 4-[2-(3-fluoro-4-hydroxypiperidin-1-yl)ethyl]piperidine-1-carbonyl fluoride?
4-[2-(3-fluoro-4-hydroxypiperidin-1-yl)ethyl]piperidine-1-carbonyl fluoride has a molecular weight of 276.33 g/mol, XLogP of 1.58, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-(3-fluoro-4-hydroxypiperidin-1-yl)ethyl]piperidine-1-carbonyl fluoride is sourced from PubChem (CID 165116564), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).