(4-fluorophenyl)methyl-[(2R)-1-(4-methylpiperidin-1-yl)-1-oxopropan-2-yl]azanium

C16H24FN2O+ — CID 7437194

IUPAC(4-fluorophenyl)methyl-[(2R)-1-(4-methylpiperidin-1-yl)-1-oxopropan-2-yl]azanium
SMILESCC1CCN(C(=O)[C@@H](C)[NH2+]Cc2ccc(F)cc2)CC1
InChIInChI=1S/C16H23FN2O/c1-12-7-9-19(10-8-12)16(20)13(2)18-11-14-3-5-15(17)6-4-14/h3-6,12-13,18H,7-11H2,1-2H3/p+1/t13-/m1/s1
InChIKeyZTKSEOTWGRYXOD-CYBMUJFWSA-O
MW279.38 g/mol
LogP1.54
Rot. Bonds4

About (4-fluorophenyl)methyl-[(2R)-1-(4-methylpiperidin-1-yl)-1-oxopropan-2-yl]azanium

(4-fluorophenyl)methyl-[(2R)-1-(4-methylpiperidin-1-yl)-1-oxopropan-2-yl]azanium (PubChem CID 7437194) has the molecular formula C16H24FN2O+ and a molecular weight of 279.38 g/mol. Its IUPAC name is (4-fluorophenyl)methyl-[(2R)-1-(4-methylpiperidin-1-yl)-1-oxopropan-2-yl]azanium.

Molecular Properties

Compound Name(4-fluorophenyl)methyl-[(2R)-1-(4-methylpiperidin-1-yl)-1-oxopropan-2-yl]azanium
PubChem CID7437194
Molecular FormulaC16H24FN2O+
Molecular Weight279.38 g/mol
Exact Mass279.19
IUPAC Name(4-fluorophenyl)methyl-[(2R)-1-(4-methylpiperidin-1-yl)-1-oxopropan-2-yl]azanium
SMILESCC1CCN(C(=O)[C@@H](C)[NH2+]Cc2ccc(F)cc2)CC1
InChIInChI=1S/C16H23FN2O/c1-12-7-9-19(10-8-12)16(20)13(2)18-11-14-3-5-15(17)6-4-14/h3-6,12-13,18H,7-11H2,1-2H3/p+1/t13-/m1/s1
InChIKeyZTKSEOTWGRYXOD-CYBMUJFWSA-O
XLogP1.54
TPSA36.92 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.38
LogP ≤ 51.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

[(2S)-1-(cyclohexylamino)-1-oxopropan-2-yl]-[(4-fluorophenyl)methyl]azanium
CID 7406527
2-amino-3-(4-fluorophenyl)-3-hydroxy-1-(4-methylpiperidin-1-yl)propan-1-one
CID 67501926
1-[(4-fluorophenyl)methyl]-3-[1-(4-methylpiperidin-1-yl)-1-oxopentan-2-yl]urea
CID 42933803
2-amino-3-(4-hydroxyphenyl)-1-(4-methylpiperidin-1-yl)propan-1-one
CID 76891872
(2S)-1-[4-[(4-fluorophenyl)methyl]piperidin-1-yl]-2-methylsulfonylpropan-1-one
CID 95301170
N-[(4-fluorophenyl)methyl]-N-[2-(4-methylpiperidin-1-yl)-2-oxoethyl]acetamide
CID 113162333
3-[2-(4-fluorophenyl)ethylamino]-1-(4-methylpiperidin-1-yl)propan-1-one
CID 109014322
N'-[2-(4-fluorophenyl)ethyl]-4-methylpiperidine-1-carboximidamide
CID 110919526
1-(4-methylpiperidin-1-yl)-2-(2,4,6-trifluorophenyl)ethanone
CID 110487580
(2S)-2-amino-1-[4-[(4-fluorophenyl)methyl]piperidin-1-yl]-3-hydroxypropan-1-one
CID 70755897
N-[(1R)-1-(4-fluorophenyl)ethyl]-4-[(4-methylpiperidin-1-yl)methyl]benzamide
CID 94024334
1-[4-[(4-fluorophenyl)methyl]piperidin-1-yl]-2-methyl-3-methylsulfonylpropan-1-one
CID 84585639

Frequently Asked Questions

What is the IUPAC name of (4-fluorophenyl)methyl-[(2R)-1-(4-methylpiperidin-1-yl)-1-oxopropan-2-yl]azanium?
The IUPAC name of (4-fluorophenyl)methyl-[(2R)-1-(4-methylpiperidin-1-yl)-1-oxopropan-2-yl]azanium (CID 7437194) is (4-fluorophenyl)methyl-[(2R)-1-(4-methylpiperidin-1-yl)-1-oxopropan-2-yl]azanium.
What is the SMILES notation for (4-fluorophenyl)methyl-[(2R)-1-(4-methylpiperidin-1-yl)-1-oxopropan-2-yl]azanium?
The canonical SMILES for (4-fluorophenyl)methyl-[(2R)-1-(4-methylpiperidin-1-yl)-1-oxopropan-2-yl]azanium is CC1CCN(C(=O)[C@@H](C)[NH2+]Cc2ccc(F)cc2)CC1.
What is the InChIKey of (4-fluorophenyl)methyl-[(2R)-1-(4-methylpiperidin-1-yl)-1-oxopropan-2-yl]azanium?
The InChIKey is ZTKSEOTWGRYXOD-CYBMUJFWSA-O. The full InChI is InChI=1S/C16H23FN2O/c1-12-7-9-19(10-8-12)16(20)13(2)18-11-14-3-5-15(17)6-4-14/h3-6,12-13,18H,7-11H2,1-2H3/p+1/t13-/m1/s1.
What are the key properties of (4-fluorophenyl)methyl-[(2R)-1-(4-methylpiperidin-1-yl)-1-oxopropan-2-yl]azanium?
(4-fluorophenyl)methyl-[(2R)-1-(4-methylpiperidin-1-yl)-1-oxopropan-2-yl]azanium has a molecular weight of 279.38 g/mol, XLogP of 1.54, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (4-fluorophenyl)methyl-[(2R)-1-(4-methylpiperidin-1-yl)-1-oxopropan-2-yl]azanium is sourced from PubChem (CID 7437194), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).