[4-(dimethylamino)phenyl]-[(3R)-3-[(R)-(4-fluorophenyl)-hydroxymethyl]piperidin-1-yl]methanone

C21H25FN2O2 — CID 16671625

IUPAC[4-(dimethylamino)phenyl]-[(3R)-3-[(R)-(4-fluorophenyl)-hydroxymethyl]piperidin-1-yl]methanone
SMILESCN(C)c1ccc(C(=O)N2CCC[C@@H]([C@@H](O)c3ccc(F)cc3)C2)cc1
InChIInChI=1S/C21H25FN2O2/c1-23(2)19-11-7-16(8-12-19)21(26)24-13-3-4-17(14-24)20(25)15-5-9-18(22)10-6-15/h5-12,17,20,25H,3-4,13-14H2,1-2H3/t17-,20+/m1/s1
InChIKeyWAPVGCFOXMVTDV-XLIONFOSSA-N
MW356.44 g/mol
LogP3.48
Rot. Bonds4

About [4-(dimethylamino)phenyl]-[(3R)-3-[(R)-(4-fluorophenyl)-hydroxymethyl]piperidin-1-yl]methanone

[4-(dimethylamino)phenyl]-[(3R)-3-[(R)-(4-fluorophenyl)-hydroxymethyl]piperidin-1-yl]methanone (PubChem CID 16671625) has the molecular formula C21H25FN2O2 and a molecular weight of 356.44 g/mol. Its IUPAC name is [4-(dimethylamino)phenyl]-[(3R)-3-[(R)-(4-fluorophenyl)-hydroxymethyl]piperidin-1-yl]methanone.

Molecular Properties

Compound Name[4-(dimethylamino)phenyl]-[(3R)-3-[(R)-(4-fluorophenyl)-hydroxymethyl]piperidin-1-yl]methanone
PubChem CID16671625
Molecular FormulaC21H25FN2O2
Molecular Weight356.44 g/mol
Exact Mass356.19
IUPAC Name[4-(dimethylamino)phenyl]-[(3R)-3-[(R)-(4-fluorophenyl)-hydroxymethyl]piperidin-1-yl]methanone
SMILESCN(C)c1ccc(C(=O)N2CCC[C@@H]([C@@H](O)c3ccc(F)cc3)C2)cc1
InChIInChI=1S/C21H25FN2O2/c1-23(2)19-11-7-16(8-12-19)21(26)24-13-3-4-17(14-24)20(25)15-5-9-18(22)10-6-15/h5-12,17,20,25H,3-4,13-14H2,1-2H3/t17-,20+/m1/s1
InChIKeyWAPVGCFOXMVTDV-XLIONFOSSA-N
XLogP3.48
TPSA43.78 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.44
LogP ≤ 53.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

[3-[(S)-(4-chlorophenyl)-hydroxymethyl]piperidin-1-yl]-(4-methylphenyl)methanone
CID 160998375
[3-[(R)-hydroxy-(4-methylphenyl)methyl]piperidin-1-yl]-phenylmethanone
CID 146542038
(3-chloropiperidin-1-yl)-[4-(dimethylamino)phenyl]methanone
CID 63393268
[(3R)-3-[(R)-(4-fluorophenyl)-hydroxymethyl]piperidin-1-yl]-(furan-2-yl)methanone
CID 126469323
[4-(dimethylamino)phenyl]-[(3S)-3-[4-(4-fluorophenyl)piperazin-1-yl]piperidin-1-yl]methanone
CID 25288503
[(3R)-3-aminopiperidin-1-yl]-[4-(dimethylamino)phenyl]methanone
CID 102983493
(4-fluorophenyl)-(3-methylpiperidin-1-yl)methanone
CID 3113489
(4-fluorophenyl)-[3-(methylamino)piperidin-1-yl]methanone
CID 62535610
(4-fluorophenyl)-(1-methylpiperidin-3-yl)methanol
CID 142412324
(4-fluorophenyl)-[(3S)-3-(methylamino)piperidin-1-yl]methanone;hydrochloride
CID 172646152
[3-(bromomethyl)piperidin-1-yl]-[4-(dimethylamino)phenyl]methanone
CID 80660500
[4-(dimethylamino)phenyl]-[(3S)-3-methylpyrrolidin-1-yl]methanone
CID 143704311

Frequently Asked Questions

What is the IUPAC name of [4-(dimethylamino)phenyl]-[(3R)-3-[(R)-(4-fluorophenyl)-hydroxymethyl]piperidin-1-yl]methanone?
The IUPAC name of [4-(dimethylamino)phenyl]-[(3R)-3-[(R)-(4-fluorophenyl)-hydroxymethyl]piperidin-1-yl]methanone (CID 16671625) is [4-(dimethylamino)phenyl]-[(3R)-3-[(R)-(4-fluorophenyl)-hydroxymethyl]piperidin-1-yl]methanone.
What is the SMILES notation for [4-(dimethylamino)phenyl]-[(3R)-3-[(R)-(4-fluorophenyl)-hydroxymethyl]piperidin-1-yl]methanone?
The canonical SMILES for [4-(dimethylamino)phenyl]-[(3R)-3-[(R)-(4-fluorophenyl)-hydroxymethyl]piperidin-1-yl]methanone is CN(C)c1ccc(C(=O)N2CCC[C@@H]([C@@H](O)c3ccc(F)cc3)C2)cc1.
What is the InChIKey of [4-(dimethylamino)phenyl]-[(3R)-3-[(R)-(4-fluorophenyl)-hydroxymethyl]piperidin-1-yl]methanone?
The InChIKey is WAPVGCFOXMVTDV-XLIONFOSSA-N. The full InChI is InChI=1S/C21H25FN2O2/c1-23(2)19-11-7-16(8-12-19)21(26)24-13-3-4-17(14-24)20(25)15-5-9-18(22)10-6-15/h5-12,17,20,25H,3-4,13-14H2,1-2H3/t17-,20+/m1/s1.
What are the key properties of [4-(dimethylamino)phenyl]-[(3R)-3-[(R)-(4-fluorophenyl)-hydroxymethyl]piperidin-1-yl]methanone?
[4-(dimethylamino)phenyl]-[(3R)-3-[(R)-(4-fluorophenyl)-hydroxymethyl]piperidin-1-yl]methanone has a molecular weight of 356.44 g/mol, XLogP of 3.48, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(dimethylamino)phenyl]-[(3R)-3-[(R)-(4-fluorophenyl)-hydroxymethyl]piperidin-1-yl]methanone is sourced from PubChem (CID 16671625), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).