2-[2-[4-[(3-hydroxypiperidin-2-yl)methoxy]cyclohexyl]phenoxy]acetic acid

C20H29NO5 — CID 170605373

IUPAC2-[2-[4-[(3-hydroxypiperidin-2-yl)methoxy]cyclohexyl]phenoxy]acetic acid
SMILESO=C(O)COc1ccccc1C1CCC(OCC2NCCCC2O)CC1
InChIInChI=1S/C20H29NO5/c22-18-5-3-11-21-17(18)12-25-15-9-7-14(8-10-15)16-4-1-2-6-19(16)26-13-20(23)24/h1-2,4,6,14-15,17-18,21-22H,3,5,7-13H2,(H,23,24)
InChIKeyKHQRQOZDROUKHC-UHFFFAOYSA-N
MW363.45 g/mol
LogP2.31
Rot. Bonds7

About 2-[2-[4-[(3-hydroxypiperidin-2-yl)methoxy]cyclohexyl]phenoxy]acetic acid

2-[2-[4-[(3-hydroxypiperidin-2-yl)methoxy]cyclohexyl]phenoxy]acetic acid (PubChem CID 170605373) has the molecular formula C20H29NO5 and a molecular weight of 363.45 g/mol. Its IUPAC name is 2-[2-[4-[(3-hydroxypiperidin-2-yl)methoxy]cyclohexyl]phenoxy]acetic acid.

Molecular Properties

Compound Name2-[2-[4-[(3-hydroxypiperidin-2-yl)methoxy]cyclohexyl]phenoxy]acetic acid
PubChem CID170605373
Molecular FormulaC20H29NO5
Molecular Weight363.45 g/mol
Exact Mass363.20
IUPAC Name2-[2-[4-[(3-hydroxypiperidin-2-yl)methoxy]cyclohexyl]phenoxy]acetic acid
SMILESO=C(O)COc1ccccc1C1CCC(OCC2NCCCC2O)CC1
InChIInChI=1S/C20H29NO5/c22-18-5-3-11-21-17(18)12-25-15-9-7-14(8-10-15)16-4-1-2-6-19(16)26-13-20(23)24/h1-2,4,6,14-15,17-18,21-22H,3,5,7-13H2,(H,23,24)
InChIKeyKHQRQOZDROUKHC-UHFFFAOYSA-N
XLogP2.31
TPSA88.02 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.45
LogP ≤ 52.31
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

2-[2-[4-[[(2R,3S)-3-[[2-[(2-methylpropan-2-yl)oxy]-2-oxoethyl]sulfonylamino]pyrrolidin-2-yl]methoxy]cyclohexyl]phenoxy]acetic acid
CID 164579972
N',N'-dimethyl-N-[(2R,3S)-2-[[4-[2-(2-oxoethoxy)phenyl]cyclohexyl]oxymethyl]piperidin-3-yl]oxamide
CID 166100538
N-[(2R,3S)-2-[[4-(2-ethoxyphenyl)cyclohexyl]oxymethyl]azepan-3-yl]methanesulfonamide
CID 167278743
(2R)-2-[2-[4-[[(2R)-3-[(2-methylpropan-2-yl)oxycarbonylamino]piperidin-2-yl]methoxy]cyclohexyl]phenoxy]propanoic acid
CID 156687869
N-[(2R,3S)-2-[[4-[2-(2-oxoethoxy)phenyl]cyclohexyl]oxymethyl]piperidin-3-yl]propane-2-sulfonamide
CID 167117529
2-[2-(oxan-4-yl)phenoxy]acetic acid
CID 22246374
N-benzyl-2,2,2-trifluoro-N-[2-[[4-(2-methoxyphenyl)cyclohexyl]oxymethyl]piperidin-3-yl]acetamide
CID 177003811
(3R)-N-[(2R,3S)-2-[[4-[2-(2-oxoethoxy)phenyl]cyclohexyl]oxymethyl]piperidin-3-yl]oxane-3-carboxamide
CID 166100557
N-[(2R,3S)-2-[[4-(2-propan-2-yloxyphenyl)cyclohexyl]oxymethyl]piperidin-3-yl]methanesulfonamide
CID 156747246
N-[(2R,3S)-2-[[4-[2-[(2S)-butan-2-yl]oxyphenyl]cyclohexyl]oxymethyl]piperidin-3-yl]methanesulfonamide
CID 167117772
(2S)-4-methyl-N-[(2R,3S)-2-[[4-[2-(2-oxoethoxy)phenyl]cyclohexyl]oxymethyl]piperidin-3-yl]morpholine-2-carboxamide
CID 177003816
ethyl (2R)-2-[2-[4-[[3-[(2-methylpropan-2-yl)oxycarbonylamino]piperidin-2-yl]methoxy]cyclohexyl]phenoxy]propanoate
CID 175829005

Frequently Asked Questions

What is the IUPAC name of 2-[2-[4-[(3-hydroxypiperidin-2-yl)methoxy]cyclohexyl]phenoxy]acetic acid?
The IUPAC name of 2-[2-[4-[(3-hydroxypiperidin-2-yl)methoxy]cyclohexyl]phenoxy]acetic acid (CID 170605373) is 2-[2-[4-[(3-hydroxypiperidin-2-yl)methoxy]cyclohexyl]phenoxy]acetic acid.
What is the SMILES notation for 2-[2-[4-[(3-hydroxypiperidin-2-yl)methoxy]cyclohexyl]phenoxy]acetic acid?
The canonical SMILES for 2-[2-[4-[(3-hydroxypiperidin-2-yl)methoxy]cyclohexyl]phenoxy]acetic acid is O=C(O)COc1ccccc1C1CCC(OCC2NCCCC2O)CC1.
What is the InChIKey of 2-[2-[4-[(3-hydroxypiperidin-2-yl)methoxy]cyclohexyl]phenoxy]acetic acid?
The InChIKey is KHQRQOZDROUKHC-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H29NO5/c22-18-5-3-11-21-17(18)12-25-15-9-7-14(8-10-15)16-4-1-2-6-19(16)26-13-20(23)24/h1-2,4,6,14-15,17-18,21-22H,3,5,7-13H2,(H,23,24).
What are the key properties of 2-[2-[4-[(3-hydroxypiperidin-2-yl)methoxy]cyclohexyl]phenoxy]acetic acid?
2-[2-[4-[(3-hydroxypiperidin-2-yl)methoxy]cyclohexyl]phenoxy]acetic acid has a molecular weight of 363.45 g/mol, XLogP of 2.31, 7 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-[4-[(3-hydroxypiperidin-2-yl)methoxy]cyclohexyl]phenoxy]acetic acid is sourced from PubChem (CID 170605373), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).