(2R)-2-cyclohexyl-2-hydroxy-1-[4-(4-methoxyphenoxy)piperidin-1-yl]ethanone

C20H29NO4 — CID 70732678

IUPAC(2R)-2-cyclohexyl-2-hydroxy-1-[4-(4-methoxyphenoxy)piperidin-1-yl]ethanone
SMILESCOc1ccc(OC2CCN(C(=O)[C@H](O)C3CCCCC3)CC2)cc1
InChIInChI=1S/C20H29NO4/c1-24-16-7-9-17(10-8-16)25-18-11-13-21(14-12-18)20(23)19(22)15-5-3-2-4-6-15/h7-10,15,18-19,22H,2-6,11-14H2,1H3/t19-/m1/s1
InChIKeyJWWOMDGIIVOLBI-LJQANCHMSA-N
MW347.46 g/mol
LogP3.01
Rot. Bonds5

About (2R)-2-cyclohexyl-2-hydroxy-1-[4-(4-methoxyphenoxy)piperidin-1-yl]ethanone

(2R)-2-cyclohexyl-2-hydroxy-1-[4-(4-methoxyphenoxy)piperidin-1-yl]ethanone (PubChem CID 70732678) has the molecular formula C20H29NO4 and a molecular weight of 347.46 g/mol. Its IUPAC name is (2R)-2-cyclohexyl-2-hydroxy-1-[4-(4-methoxyphenoxy)piperidin-1-yl]ethanone.

Molecular Properties

Compound Name(2R)-2-cyclohexyl-2-hydroxy-1-[4-(4-methoxyphenoxy)piperidin-1-yl]ethanone
PubChem CID70732678
Molecular FormulaC20H29NO4
Molecular Weight347.46 g/mol
Exact Mass347.21
IUPAC Name(2R)-2-cyclohexyl-2-hydroxy-1-[4-(4-methoxyphenoxy)piperidin-1-yl]ethanone
SMILESCOc1ccc(OC2CCN(C(=O)[C@H](O)C3CCCCC3)CC2)cc1
InChIInChI=1S/C20H29NO4/c1-24-16-7-9-17(10-8-16)25-18-11-13-21(14-12-18)20(23)19(22)15-5-3-2-4-6-15/h7-10,15,18-19,22H,2-6,11-14H2,1H3/t19-/m1/s1
InChIKeyJWWOMDGIIVOLBI-LJQANCHMSA-N
XLogP3.01
TPSA59.00 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.46
LogP ≤ 53.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(2R)-2-amino-3-methoxy-1-[4-(4-methoxyphenoxy)piperidin-1-yl]propan-1-one;hydrochloride
CID 154897114
[4-(4-methoxyphenoxy)piperidin-1-yl]-(4-methoxyphenyl)methanone
CID 110396821
cyclopropyl-[4-(4-methoxyphenoxy)piperidin-1-yl]methanone
CID 110396800
2-methoxy-1-[4-(4-methoxyphenoxy)piperidin-1-yl]ethanone
CID 70724680
1-[4-(4-methoxyphenoxy)piperidin-1-yl]-2-methyl-3-pyrazol-1-ylpropan-1-one
CID 70779423
(2-bromophenyl)-[4-(4-methoxyphenoxy)piperidin-1-yl]methanone
CID 110396817
[4-(4-fluorophenoxy)piperidin-1-yl]-(4-methoxyphenyl)methanone
CID 110396932
(4-bromophenyl)-[4-(4-methoxyphenoxy)piperidin-1-yl]methanone
CID 44781860
(4-chlorophenyl)-[4-(4-methoxyphenoxy)piperidin-1-yl]methanone
CID 110396841
[4-(4-methoxyphenoxy)piperidin-1-yl]-(2-methylfuran-3-yl)methanone
CID 70764451
[4-(4-methoxyphenoxy)piperidin-1-yl]-(3-methoxyphenyl)methanone
CID 110396820
(2S)-2-amino-1-[4-(4-chlorophenoxy)piperidin-1-yl]propan-1-one
CID 67529016

Frequently Asked Questions

What is the IUPAC name of (2R)-2-cyclohexyl-2-hydroxy-1-[4-(4-methoxyphenoxy)piperidin-1-yl]ethanone?
The IUPAC name of (2R)-2-cyclohexyl-2-hydroxy-1-[4-(4-methoxyphenoxy)piperidin-1-yl]ethanone (CID 70732678) is (2R)-2-cyclohexyl-2-hydroxy-1-[4-(4-methoxyphenoxy)piperidin-1-yl]ethanone.
What is the SMILES notation for (2R)-2-cyclohexyl-2-hydroxy-1-[4-(4-methoxyphenoxy)piperidin-1-yl]ethanone?
The canonical SMILES for (2R)-2-cyclohexyl-2-hydroxy-1-[4-(4-methoxyphenoxy)piperidin-1-yl]ethanone is COc1ccc(OC2CCN(C(=O)[C@H](O)C3CCCCC3)CC2)cc1.
What is the InChIKey of (2R)-2-cyclohexyl-2-hydroxy-1-[4-(4-methoxyphenoxy)piperidin-1-yl]ethanone?
The InChIKey is JWWOMDGIIVOLBI-LJQANCHMSA-N. The full InChI is InChI=1S/C20H29NO4/c1-24-16-7-9-17(10-8-16)25-18-11-13-21(14-12-18)20(23)19(22)15-5-3-2-4-6-15/h7-10,15,18-19,22H,2-6,11-14H2,1H3/t19-/m1/s1.
What are the key properties of (2R)-2-cyclohexyl-2-hydroxy-1-[4-(4-methoxyphenoxy)piperidin-1-yl]ethanone?
(2R)-2-cyclohexyl-2-hydroxy-1-[4-(4-methoxyphenoxy)piperidin-1-yl]ethanone has a molecular weight of 347.46 g/mol, XLogP of 3.01, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-cyclohexyl-2-hydroxy-1-[4-(4-methoxyphenoxy)piperidin-1-yl]ethanone is sourced from PubChem (CID 70732678), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).