[1-(2-fluorophenyl)cyclopropyl]-[(3S,4S)-4-hydroxy-3-(hydroxymethyl)-3-propylpiperidin-1-yl]methanone

C19H26FNO3 — CID 155500159

IUPAC[1-(2-fluorophenyl)cyclopropyl]-[(3S,4S)-4-hydroxy-3-(hydroxymethyl)-3-propylpiperidin-1-yl]methanone
SMILESCCC[C@@]1(CO)CN(C(=O)C2(c3ccccc3F)CC2)CC[C@@H]1O
InChIInChI=1S/C19H26FNO3/c1-2-8-18(13-22)12-21(11-7-16(18)23)17(24)19(9-10-19)14-5-3-4-6-15(14)20/h3-6,16,22-23H,2,7-13H2,1H3/t16-,18-/m0/s1
InChIKeyMVBDPPJGHZCKNE-WMZOPIPTSA-N
MW335.42 g/mol
LogP2.23
Rot. Bonds5

About [1-(2-fluorophenyl)cyclopropyl]-[(3S,4S)-4-hydroxy-3-(hydroxymethyl)-3-propylpiperidin-1-yl]methanone

[1-(2-fluorophenyl)cyclopropyl]-[(3S,4S)-4-hydroxy-3-(hydroxymethyl)-3-propylpiperidin-1-yl]methanone (PubChem CID 155500159) has the molecular formula C19H26FNO3 and a molecular weight of 335.42 g/mol. Its IUPAC name is [1-(2-fluorophenyl)cyclopropyl]-[(3S,4S)-4-hydroxy-3-(hydroxymethyl)-3-propylpiperidin-1-yl]methanone.

Molecular Properties

Compound Name[1-(2-fluorophenyl)cyclopropyl]-[(3S,4S)-4-hydroxy-3-(hydroxymethyl)-3-propylpiperidin-1-yl]methanone
PubChem CID155500159
Molecular FormulaC19H26FNO3
Molecular Weight335.42 g/mol
Exact Mass335.19
IUPAC Name[1-(2-fluorophenyl)cyclopropyl]-[(3S,4S)-4-hydroxy-3-(hydroxymethyl)-3-propylpiperidin-1-yl]methanone
SMILESCCC[C@@]1(CO)CN(C(=O)C2(c3ccccc3F)CC2)CC[C@@H]1O
InChIInChI=1S/C19H26FNO3/c1-2-8-18(13-22)12-21(11-7-16(18)23)17(24)19(9-10-19)14-5-3-4-6-15(14)20/h3-6,16,22-23H,2,7-13H2,1H3/t16-,18-/m0/s1
InChIKeyMVBDPPJGHZCKNE-WMZOPIPTSA-N
XLogP2.23
TPSA60.77 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.42
LogP ≤ 52.23
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze [1-(2-fluorophenyl)cyclopropyl]-[(3S,4S)-4-hydroxy-3-(hydroxymethyl)-3-propylpiperidin-1-yl]methanone with MolForge

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Related Compounds

2-[(2-fluorophenyl)methyl-methylamino]-1-[(3S,4S)-4-hydroxy-3-(hydroxymethyl)-3-propylpiperidin-1-yl]ethanone
CID 157012890
[1-(2-fluorophenyl)cyclopropyl]-[4-(hydroxymethyl)piperidin-1-yl]methanone
CID 110473638
1-[(3S,4R)-4-hydroxy-3-(hydroxymethyl)-3-propylpiperidin-1-yl]-2-(2-methylphenyl)ethanone
CID 155492666
[1-(2-fluorophenyl)cyclopropyl]-[(3R)-3-(methylaminomethyl)pyrrolidin-1-yl]methanone
CID 125134753
[1-(2-fluorophenyl)cyclobutyl]-(4-methylpiperidin-1-yl)methanone
CID 110436577
[(1S,3R)-1,3-dihydroxy-7-azaspiro[3.5]nonan-7-yl]-[1-(2-fluorophenyl)cyclopropyl]methanone
CID 72877100
(3-fluoro-5-methylphenyl)-[(3S,4R)-4-hydroxy-3-(hydroxymethyl)-3-propylpiperidin-1-yl]methanone
CID 155499155
[(3S,4S)-4-hydroxy-3-(hydroxymethyl)-3-propylpiperidin-1-yl]-(3-phenoxyphenyl)methanone
CID 155499464
[(3S,4S)-4-hydroxy-3-(hydroxymethyl)-3-propylpiperidin-1-yl]-(4-propan-2-yloxyphenyl)methanone
CID 155506478
(5-chloro-2-pyridinyl)-[(3S,4R)-4-hydroxy-3-(hydroxymethyl)-3-propylpiperidin-1-yl]methanone
CID 155507299
[(3S,4R)-4-hydroxy-3-(hydroxymethyl)-3-propylpiperidin-1-yl]-(1H-indazol-3-yl)methanone
CID 155505171
[(3S,4R)-4-hydroxy-3-(hydroxymethyl)-3-propylpiperidin-1-yl]-quinolin-3-ylmethanone
CID 155502249

Frequently Asked Questions

What is the IUPAC name of [1-(2-fluorophenyl)cyclopropyl]-[(3S,4S)-4-hydroxy-3-(hydroxymethyl)-3-propylpiperidin-1-yl]methanone?
The IUPAC name of [1-(2-fluorophenyl)cyclopropyl]-[(3S,4S)-4-hydroxy-3-(hydroxymethyl)-3-propylpiperidin-1-yl]methanone (CID 155500159) is [1-(2-fluorophenyl)cyclopropyl]-[(3S,4S)-4-hydroxy-3-(hydroxymethyl)-3-propylpiperidin-1-yl]methanone.
What is the SMILES notation for [1-(2-fluorophenyl)cyclopropyl]-[(3S,4S)-4-hydroxy-3-(hydroxymethyl)-3-propylpiperidin-1-yl]methanone?
The canonical SMILES for [1-(2-fluorophenyl)cyclopropyl]-[(3S,4S)-4-hydroxy-3-(hydroxymethyl)-3-propylpiperidin-1-yl]methanone is CCC[C@@]1(CO)CN(C(=O)C2(c3ccccc3F)CC2)CC[C@@H]1O.
What is the InChIKey of [1-(2-fluorophenyl)cyclopropyl]-[(3S,4S)-4-hydroxy-3-(hydroxymethyl)-3-propylpiperidin-1-yl]methanone?
The InChIKey is MVBDPPJGHZCKNE-WMZOPIPTSA-N. The full InChI is InChI=1S/C19H26FNO3/c1-2-8-18(13-22)12-21(11-7-16(18)23)17(24)19(9-10-19)14-5-3-4-6-15(14)20/h3-6,16,22-23H,2,7-13H2,1H3/t16-,18-/m0/s1.
What are the key properties of [1-(2-fluorophenyl)cyclopropyl]-[(3S,4S)-4-hydroxy-3-(hydroxymethyl)-3-propylpiperidin-1-yl]methanone?
[1-(2-fluorophenyl)cyclopropyl]-[(3S,4S)-4-hydroxy-3-(hydroxymethyl)-3-propylpiperidin-1-yl]methanone has a molecular weight of 335.42 g/mol, XLogP of 2.23, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(2-fluorophenyl)cyclopropyl]-[(3S,4S)-4-hydroxy-3-(hydroxymethyl)-3-propylpiperidin-1-yl]methanone is sourced from PubChem (CID 155500159), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).