[(3S,4R)-3,4-dihydroxy-4-methylpiperidin-1-yl]-[4-[(2-fluorophenyl)methoxy]phenyl]methanone

C20H22FNO4 — CID 72851095

IUPAC[(3S,4R)-3,4-dihydroxy-4-methylpiperidin-1-yl]-[4-[(2-fluorophenyl)methoxy]phenyl]methanone
SMILESC[C@@]1(O)CCN(C(=O)c2ccc(OCc3ccccc3F)cc2)C[C@@H]1O
InChIInChI=1S/C20H22FNO4/c1-20(25)10-11-22(12-18(20)23)19(24)14-6-8-16(9-7-14)26-13-15-4-2-3-5-17(15)21/h2-9,18,23,25H,10-13H2,1H3/t18-,20+/m0/s1
InChIKeySLSFFEHKBDEBKV-AZUAARDMSA-N
MW359.40 g/mol
LogP2.36
Rot. Bonds4

About [(3S,4R)-3,4-dihydroxy-4-methylpiperidin-1-yl]-[4-[(2-fluorophenyl)methoxy]phenyl]methanone

[(3S,4R)-3,4-dihydroxy-4-methylpiperidin-1-yl]-[4-[(2-fluorophenyl)methoxy]phenyl]methanone (PubChem CID 72851095) has the molecular formula C20H22FNO4 and a molecular weight of 359.40 g/mol. Its IUPAC name is [(3S,4R)-3,4-dihydroxy-4-methylpiperidin-1-yl]-[4-[(2-fluorophenyl)methoxy]phenyl]methanone.

Molecular Properties

Compound Name[(3S,4R)-3,4-dihydroxy-4-methylpiperidin-1-yl]-[4-[(2-fluorophenyl)methoxy]phenyl]methanone
PubChem CID72851095
Molecular FormulaC20H22FNO4
Molecular Weight359.40 g/mol
Exact Mass359.15
IUPAC Name[(3S,4R)-3,4-dihydroxy-4-methylpiperidin-1-yl]-[4-[(2-fluorophenyl)methoxy]phenyl]methanone
SMILESC[C@@]1(O)CCN(C(=O)c2ccc(OCc3ccccc3F)cc2)C[C@@H]1O
InChIInChI=1S/C20H22FNO4/c1-20(25)10-11-22(12-18(20)23)19(24)14-6-8-16(9-7-14)26-13-15-4-2-3-5-17(15)21/h2-9,18,23,25H,10-13H2,1H3/t18-,20+/m0/s1
InChIKeySLSFFEHKBDEBKV-AZUAARDMSA-N
XLogP2.36
TPSA70.00 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.40
LogP ≤ 52.36
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze [(3S,4R)-3,4-dihydroxy-4-methylpiperidin-1-yl]-[4-[(2-fluorophenyl)methoxy]phenyl]methanone with MolForge

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Related Compounds

8-[4-[(2-fluorophenyl)methoxy]benzoyl]-2,8-diazaspiro[4.5]decan-3-one
CID 70778858
[(3aR,7aR)-7a-(hydroxymethyl)-1,3,3a,4,6,7-hexahydropyrano[3,4-c]pyrrol-2-yl]-[4-[(2-fluorophenyl)methoxy]phenyl]methanone
CID 137344750
2-[(2R)-1-[4-[(2-fluorophenyl)methoxy]benzoyl]piperidin-2-yl]acetic acid
CID 125176472
(3R,4S)-3-hydroxy-1-[4-(phenoxymethyl)benzoyl]-4-propylpiperidine-4-carboxylic acid
CID 135117162
(3-hydroxy-4,4-dimethylpiperidin-1-yl)-phenylmethanone
CID 115269824
2H-benzotriazol-5-yl-[(3S,4R)-3,4-dihydroxy-4-methylpiperidin-1-yl]methanone
CID 72925092
4-[(2-fluorophenyl)methoxy]-N-methyl-N-[[(3S)-1-methylpiperidin-3-yl]methyl]benzamide
CID 99974557
(5-chloro-2-fluorophenyl)-[(3S,4R)-3,4-dihydroxy-4-methylpiperidin-1-yl]methanone
CID 72912955
1-[(3R,4R)-3,4-dihydroxy-4-methylpiperidin-1-yl]-4-(4-methoxyphenyl)butane-1,4-dione
CID 133125787
1-[(3R,4R)-3,4-dihydroxy-4-methylpiperidin-1-yl]-2-(3-fluoro-4-hydroxyphenyl)ethanone
CID 133121724
1-[(3S,4R)-3,4-dihydroxy-4-methylpiperidin-1-yl]-3-(2-methoxyphenyl)propan-1-one
CID 72901145
[4-[(2-chlorophenyl)methoxy]phenyl]-[(2R,6R)-2,6-dimethylmorpholin-4-yl]methanone
CID 8814188

Frequently Asked Questions

What is the IUPAC name of [(3S,4R)-3,4-dihydroxy-4-methylpiperidin-1-yl]-[4-[(2-fluorophenyl)methoxy]phenyl]methanone?
The IUPAC name of [(3S,4R)-3,4-dihydroxy-4-methylpiperidin-1-yl]-[4-[(2-fluorophenyl)methoxy]phenyl]methanone (CID 72851095) is [(3S,4R)-3,4-dihydroxy-4-methylpiperidin-1-yl]-[4-[(2-fluorophenyl)methoxy]phenyl]methanone.
What is the SMILES notation for [(3S,4R)-3,4-dihydroxy-4-methylpiperidin-1-yl]-[4-[(2-fluorophenyl)methoxy]phenyl]methanone?
The canonical SMILES for [(3S,4R)-3,4-dihydroxy-4-methylpiperidin-1-yl]-[4-[(2-fluorophenyl)methoxy]phenyl]methanone is C[C@@]1(O)CCN(C(=O)c2ccc(OCc3ccccc3F)cc2)C[C@@H]1O.
What is the InChIKey of [(3S,4R)-3,4-dihydroxy-4-methylpiperidin-1-yl]-[4-[(2-fluorophenyl)methoxy]phenyl]methanone?
The InChIKey is SLSFFEHKBDEBKV-AZUAARDMSA-N. The full InChI is InChI=1S/C20H22FNO4/c1-20(25)10-11-22(12-18(20)23)19(24)14-6-8-16(9-7-14)26-13-15-4-2-3-5-17(15)21/h2-9,18,23,25H,10-13H2,1H3/t18-,20+/m0/s1.
What are the key properties of [(3S,4R)-3,4-dihydroxy-4-methylpiperidin-1-yl]-[4-[(2-fluorophenyl)methoxy]phenyl]methanone?
[(3S,4R)-3,4-dihydroxy-4-methylpiperidin-1-yl]-[4-[(2-fluorophenyl)methoxy]phenyl]methanone has a molecular weight of 359.40 g/mol, XLogP of 2.36, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [(3S,4R)-3,4-dihydroxy-4-methylpiperidin-1-yl]-[4-[(2-fluorophenyl)methoxy]phenyl]methanone is sourced from PubChem (CID 72851095), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).