1-[1-[(4-fluorophenyl)methyl]piperidin-4-yl]-N-[(2S)-2-hydroxypropyl]methanesulfonamide

C16H25FN2O3S — CID 125422258

IUPAC1-[1-[(4-fluorophenyl)methyl]piperidin-4-yl]-N-[(2S)-2-hydroxypropyl]methanesulfonamide
SMILESC[C@H](O)CNS(=O)(=O)CC1CCN(Cc2ccc(F)cc2)CC1
InChIInChI=1S/C16H25FN2O3S/c1-13(20)10-18-23(21,22)12-15-6-8-19(9-7-15)11-14-2-4-16(17)5-3-14/h2-5,13,15,18,20H,6-12H2,1H3/t13-/m0/s1
InChIKeyNLDFXSMOIJEZMW-ZDUSSCGKSA-N
MW344.45 g/mol
LogP1.34
Rot. Bonds7

About 1-[1-[(4-fluorophenyl)methyl]piperidin-4-yl]-N-[(2S)-2-hydroxypropyl]methanesulfonamide

1-[1-[(4-fluorophenyl)methyl]piperidin-4-yl]-N-[(2S)-2-hydroxypropyl]methanesulfonamide (PubChem CID 125422258) has the molecular formula C16H25FN2O3S and a molecular weight of 344.45 g/mol. Its IUPAC name is 1-[1-[(4-fluorophenyl)methyl]piperidin-4-yl]-N-[(2S)-2-hydroxypropyl]methanesulfonamide.

Molecular Properties

Compound Name1-[1-[(4-fluorophenyl)methyl]piperidin-4-yl]-N-[(2S)-2-hydroxypropyl]methanesulfonamide
PubChem CID125422258
Molecular FormulaC16H25FN2O3S
Molecular Weight344.45 g/mol
Exact Mass344.16
IUPAC Name1-[1-[(4-fluorophenyl)methyl]piperidin-4-yl]-N-[(2S)-2-hydroxypropyl]methanesulfonamide
SMILESC[C@H](O)CNS(=O)(=O)CC1CCN(Cc2ccc(F)cc2)CC1
InChIInChI=1S/C16H25FN2O3S/c1-13(20)10-18-23(21,22)12-15-6-8-19(9-7-15)11-14-2-4-16(17)5-3-14/h2-5,13,15,18,20H,6-12H2,1H3/t13-/m0/s1
InChIKeyNLDFXSMOIJEZMW-ZDUSSCGKSA-N
XLogP1.34
TPSA69.64 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.45
LogP ≤ 51.34
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 1-[1-[(4-fluorophenyl)methyl]piperidin-4-yl]-N-[(2S)-2-hydroxypropyl]methanesulfonamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-(4-fluorophenyl)-N-(2-hydroxypropyl)methanesulfonamide
CID 43502310
N-[[1-[(4-fluorophenyl)methyl]piperidin-4-yl]methyl]propan-2-amine
CID 62593449
3-[1-[(4-fluorophenyl)methyl]piperidin-4-yl]-2-methylpropan-1-ol
CID 83983299
3-[1-[(4-fluorophenyl)methyl]piperidin-4-yl]-2-methylpropan-1-amine
CID 83983298
methyl 2-[1-[(4-fluorophenyl)methyl]piperidin-4-yl]acetate
CID 17221672
1-[(4-fluorophenyl)methyl]-N-(2-methylpropyl)piperidine-4-carboxamide
CID 762838
1-[1-[(4-fluorophenyl)methyl]pyrrolidin-3-yl]-N-methylpropan-2-amine
CID 83986174
methyl 2-amino-3-[1-[(4-fluorophenyl)methyl]piperidin-4-yl]propanoate
CID 83983286
methyl 2-amino-2-[1-[(4-fluorophenyl)methyl]piperidin-4-yl]acetate
CID 83983287
N-(2,4-dimethylpentan-3-yl)-1-[(4-fluorophenyl)methyl]piperidine-4-carboxamide
CID 42562266
1-[1-[(4-fluorophenyl)methyl]pyrrolidin-3-yl]propan-2-amine
CID 83986159
N-[1-[(4-fluorophenyl)methyl]piperidin-4-yl]-4-methylpiperidine-1-sulfonamide
CID 51121961

Frequently Asked Questions

What is the IUPAC name of 1-[1-[(4-fluorophenyl)methyl]piperidin-4-yl]-N-[(2S)-2-hydroxypropyl]methanesulfonamide?
The IUPAC name of 1-[1-[(4-fluorophenyl)methyl]piperidin-4-yl]-N-[(2S)-2-hydroxypropyl]methanesulfonamide (CID 125422258) is 1-[1-[(4-fluorophenyl)methyl]piperidin-4-yl]-N-[(2S)-2-hydroxypropyl]methanesulfonamide.
What is the SMILES notation for 1-[1-[(4-fluorophenyl)methyl]piperidin-4-yl]-N-[(2S)-2-hydroxypropyl]methanesulfonamide?
The canonical SMILES for 1-[1-[(4-fluorophenyl)methyl]piperidin-4-yl]-N-[(2S)-2-hydroxypropyl]methanesulfonamide is C[C@H](O)CNS(=O)(=O)CC1CCN(Cc2ccc(F)cc2)CC1.
What is the InChIKey of 1-[1-[(4-fluorophenyl)methyl]piperidin-4-yl]-N-[(2S)-2-hydroxypropyl]methanesulfonamide?
The InChIKey is NLDFXSMOIJEZMW-ZDUSSCGKSA-N. The full InChI is InChI=1S/C16H25FN2O3S/c1-13(20)10-18-23(21,22)12-15-6-8-19(9-7-15)11-14-2-4-16(17)5-3-14/h2-5,13,15,18,20H,6-12H2,1H3/t13-/m0/s1.
What are the key properties of 1-[1-[(4-fluorophenyl)methyl]piperidin-4-yl]-N-[(2S)-2-hydroxypropyl]methanesulfonamide?
1-[1-[(4-fluorophenyl)methyl]piperidin-4-yl]-N-[(2S)-2-hydroxypropyl]methanesulfonamide has a molecular weight of 344.45 g/mol, XLogP of 1.34, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-[(4-fluorophenyl)methyl]piperidin-4-yl]-N-[(2S)-2-hydroxypropyl]methanesulfonamide is sourced from PubChem (CID 125422258), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).