N-[1-[2-(4-fluorophenyl)-2-hydroxyethyl]piperidin-3-yl]-2-methylpropanamide

C17H25FN2O2 — CID 110921581

IUPACN-[1-[2-(4-fluorophenyl)-2-hydroxyethyl]piperidin-3-yl]-2-methylpropanamide
SMILESCC(C)C(=O)NC1CCCN(CC(O)c2ccc(F)cc2)C1
InChIInChI=1S/C17H25FN2O2/c1-12(2)17(22)19-15-4-3-9-20(10-15)11-16(21)13-5-7-14(18)8-6-13/h5-8,12,15-16,21H,3-4,9-11H2,1-2H3,(H,19,22)
InChIKeyMDLBQGNTJMKRDL-UHFFFAOYSA-N
MW308.40 g/mol
LogP2.10
Rot. Bonds5

About N-[1-[2-(4-fluorophenyl)-2-hydroxyethyl]piperidin-3-yl]-2-methylpropanamide

N-[1-[2-(4-fluorophenyl)-2-hydroxyethyl]piperidin-3-yl]-2-methylpropanamide (PubChem CID 110921581) has the molecular formula C17H25FN2O2 and a molecular weight of 308.40 g/mol. Its IUPAC name is N-[1-[2-(4-fluorophenyl)-2-hydroxyethyl]piperidin-3-yl]-2-methylpropanamide.

Molecular Properties

Compound NameN-[1-[2-(4-fluorophenyl)-2-hydroxyethyl]piperidin-3-yl]-2-methylpropanamide
PubChem CID110921581
Molecular FormulaC17H25FN2O2
Molecular Weight308.40 g/mol
Exact Mass308.19
IUPAC NameN-[1-[2-(4-fluorophenyl)-2-hydroxyethyl]piperidin-3-yl]-2-methylpropanamide
SMILESCC(C)C(=O)NC1CCCN(CC(O)c2ccc(F)cc2)C1
InChIInChI=1S/C17H25FN2O2/c1-12(2)17(22)19-15-4-3-9-20(10-15)11-16(21)13-5-7-14(18)8-6-13/h5-8,12,15-16,21H,3-4,9-11H2,1-2H3,(H,19,22)
InChIKeyMDLBQGNTJMKRDL-UHFFFAOYSA-N
XLogP2.10
TPSA52.57 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.40
LogP ≤ 52.10
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

(1S)-1-(4-fluorophenyl)-2-[(3S)-3-methylpiperidin-1-yl]ethanol
CID 100852909
N-[1-[2-(3,4-difluorophenyl)-2-hydroxyethyl]piperidin-3-yl]propanamide
CID 110911083
ethyl N-[1-[2-hydroxy-2-(4-methylphenyl)ethyl]piperidin-3-yl]carbamate
CID 111476618
N-[1-[2-hydroxy-3-(2-methylphenoxy)propyl]piperidin-3-yl]-2-methylpropanamide
CID 110921573
N-[1-[2-(2-fluorophenyl)-2-hydroxyethyl]piperidin-3-yl]propanamide
CID 110911087
ethyl N-[1-[2-(4-fluoro-2-methylphenyl)-2-hydroxyethyl]piperidin-3-yl]carbamate
CID 111564968
1-[(2R)-2-(4-fluorophenyl)-2-hydroxyethyl]-N-methylpiperidine-4-carboxamide
CID 32657544
2-[4-[2-(4-fluorophenyl)-2-hydroxyethyl]-1,4-diazepan-1-yl]-N,N-dimethylacetamide
CID 110889740
2-(3-methylpiperidin-1-yl)-1-(4-propan-2-ylphenyl)ethanol
CID 54944272
N-cyclopentyl-2-(4-fluorophenyl)-3-methylbutanamide
CID 110316813
ethyl N-[1-[2-(2-fluorophenyl)-2-hydroxyethyl]piperidin-3-yl]carbamate
CID 110892585
1-[2-(4-fluorophenyl)propyl]-N-methylpyrrolidin-3-amine
CID 120834127

Frequently Asked Questions

What is the IUPAC name of N-[1-[2-(4-fluorophenyl)-2-hydroxyethyl]piperidin-3-yl]-2-methylpropanamide?
The IUPAC name of N-[1-[2-(4-fluorophenyl)-2-hydroxyethyl]piperidin-3-yl]-2-methylpropanamide (CID 110921581) is N-[1-[2-(4-fluorophenyl)-2-hydroxyethyl]piperidin-3-yl]-2-methylpropanamide.
What is the SMILES notation for N-[1-[2-(4-fluorophenyl)-2-hydroxyethyl]piperidin-3-yl]-2-methylpropanamide?
The canonical SMILES for N-[1-[2-(4-fluorophenyl)-2-hydroxyethyl]piperidin-3-yl]-2-methylpropanamide is CC(C)C(=O)NC1CCCN(CC(O)c2ccc(F)cc2)C1.
What is the InChIKey of N-[1-[2-(4-fluorophenyl)-2-hydroxyethyl]piperidin-3-yl]-2-methylpropanamide?
The InChIKey is MDLBQGNTJMKRDL-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25FN2O2/c1-12(2)17(22)19-15-4-3-9-20(10-15)11-16(21)13-5-7-14(18)8-6-13/h5-8,12,15-16,21H,3-4,9-11H2,1-2H3,(H,19,22).
What are the key properties of N-[1-[2-(4-fluorophenyl)-2-hydroxyethyl]piperidin-3-yl]-2-methylpropanamide?
N-[1-[2-(4-fluorophenyl)-2-hydroxyethyl]piperidin-3-yl]-2-methylpropanamide has a molecular weight of 308.40 g/mol, XLogP of 2.10, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-[2-(4-fluorophenyl)-2-hydroxyethyl]piperidin-3-yl]-2-methylpropanamide is sourced from PubChem (CID 110921581), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).