(2-fluoro-6-hydroxyphenyl)-[(2S,4S)-4-(hydroxymethyl)-2-methylpiperidin-1-yl]methanone

C14H18FNO3 — CID 154800839

IUPAC(2-fluoro-6-hydroxyphenyl)-[(2S,4S)-4-(hydroxymethyl)-2-methylpiperidin-1-yl]methanone
SMILESC[C@H]1C[C@@H](CO)CCN1C(=O)c1c(O)cccc1F
InChIInChI=1S/C14H18FNO3/c1-9-7-10(8-17)5-6-16(9)14(19)13-11(15)3-2-4-12(13)18/h2-4,9-10,17-18H,5-8H2,1H3/t9-,10-/m0/s1
InChIKeyBPGXOEDTCCRYBP-UWVGGRQHSA-N
MW267.30 g/mol
LogP1.76
Rot. Bonds2

About (2-fluoro-6-hydroxyphenyl)-[(2S,4S)-4-(hydroxymethyl)-2-methylpiperidin-1-yl]methanone

(2-fluoro-6-hydroxyphenyl)-[(2S,4S)-4-(hydroxymethyl)-2-methylpiperidin-1-yl]methanone (PubChem CID 154800839) has the molecular formula C14H18FNO3 and a molecular weight of 267.30 g/mol. Its IUPAC name is (2-fluoro-6-hydroxyphenyl)-[(2S,4S)-4-(hydroxymethyl)-2-methylpiperidin-1-yl]methanone.

Molecular Properties

Compound Name(2-fluoro-6-hydroxyphenyl)-[(2S,4S)-4-(hydroxymethyl)-2-methylpiperidin-1-yl]methanone
PubChem CID154800839
Molecular FormulaC14H18FNO3
Molecular Weight267.30 g/mol
Exact Mass267.13
IUPAC Name(2-fluoro-6-hydroxyphenyl)-[(2S,4S)-4-(hydroxymethyl)-2-methylpiperidin-1-yl]methanone
SMILESC[C@H]1C[C@@H](CO)CCN1C(=O)c1c(O)cccc1F
InChIInChI=1S/C14H18FNO3/c1-9-7-10(8-17)5-6-16(9)14(19)13-11(15)3-2-4-12(13)18/h2-4,9-10,17-18H,5-8H2,1H3/t9-,10-/m0/s1
InChIKeyBPGXOEDTCCRYBP-UWVGGRQHSA-N
XLogP1.76
TPSA60.77 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.30
LogP ≤ 51.76
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

(2-fluoro-6-hydroxyphenyl)-(2,3,5-trimethylpiperidin-1-yl)methanone
CID 103274732
[2-(chloromethyl)pyrrolidin-1-yl]-(2-fluoro-6-hydroxyphenyl)methanone
CID 107016719
[2-(bromomethyl)pyrrolidin-1-yl]-(2-fluoro-6-hydroxyphenyl)methanone
CID 107016765
(2-fluoro-6-methoxyphenyl)-[2-(hydroxymethyl)-3-methylpyrrolidin-1-yl]methanone
CID 102784891
(2-fluoro-6-hydroxyphenyl)-(2-propylpiperidin-1-yl)methanone
CID 104918435
1-[1-(2-fluoro-6-hydroxybenzoyl)piperidin-2-yl]propan-2-one
CID 107014982
1-[2-fluoro-6-[3-(hydroxymethyl)pyrrolidin-1-yl]phenyl]ethanone
CID 112692568
(2,6-dimethylpiperazin-1-yl)-(2-fluoro-6-hydroxyphenyl)methanone
CID 107015881
[2-(aminomethyl)-3-methylpyrrolidin-1-yl]-(2,6-difluorophenyl)methanone
CID 102783511
[3-(2-bromoethyl)pyrrolidin-1-yl]-(2-fluoro-6-hydroxyphenyl)methanone
CID 107017027
(4-ethyl-3-methylpiperazin-1-yl)-(2-fluoro-6-hydroxyphenyl)methanone
CID 104918307
[2-(1-aminoethyl)piperidin-1-yl]-(2-fluoro-6-hydroxyphenyl)methanone
CID 107015847

Frequently Asked Questions

What is the IUPAC name of (2-fluoro-6-hydroxyphenyl)-[(2S,4S)-4-(hydroxymethyl)-2-methylpiperidin-1-yl]methanone?
The IUPAC name of (2-fluoro-6-hydroxyphenyl)-[(2S,4S)-4-(hydroxymethyl)-2-methylpiperidin-1-yl]methanone (CID 154800839) is (2-fluoro-6-hydroxyphenyl)-[(2S,4S)-4-(hydroxymethyl)-2-methylpiperidin-1-yl]methanone.
What is the SMILES notation for (2-fluoro-6-hydroxyphenyl)-[(2S,4S)-4-(hydroxymethyl)-2-methylpiperidin-1-yl]methanone?
The canonical SMILES for (2-fluoro-6-hydroxyphenyl)-[(2S,4S)-4-(hydroxymethyl)-2-methylpiperidin-1-yl]methanone is C[C@H]1C[C@@H](CO)CCN1C(=O)c1c(O)cccc1F.
What is the InChIKey of (2-fluoro-6-hydroxyphenyl)-[(2S,4S)-4-(hydroxymethyl)-2-methylpiperidin-1-yl]methanone?
The InChIKey is BPGXOEDTCCRYBP-UWVGGRQHSA-N. The full InChI is InChI=1S/C14H18FNO3/c1-9-7-10(8-17)5-6-16(9)14(19)13-11(15)3-2-4-12(13)18/h2-4,9-10,17-18H,5-8H2,1H3/t9-,10-/m0/s1.
What are the key properties of (2-fluoro-6-hydroxyphenyl)-[(2S,4S)-4-(hydroxymethyl)-2-methylpiperidin-1-yl]methanone?
(2-fluoro-6-hydroxyphenyl)-[(2S,4S)-4-(hydroxymethyl)-2-methylpiperidin-1-yl]methanone has a molecular weight of 267.30 g/mol, XLogP of 1.76, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2-fluoro-6-hydroxyphenyl)-[(2S,4S)-4-(hydroxymethyl)-2-methylpiperidin-1-yl]methanone is sourced from PubChem (CID 154800839), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).