trans-(1R,2S)-2-[(3S)-4-[2-(3-methoxyphenoxy)ethyl]morpholin-3-yl]cyclopentan-1-ol

C18H27NO4 — CID 129484070

IUPACtrans-(1R,2S)-2-[(3S)-4-[2-(3-methoxyphenoxy)ethyl]morpholin-3-yl]cyclopentan-1-ol
SMILESCOc1cccc(OCCN2CCOC[C@@H]2[C@@H]2CCC[C@H]2O)c1
InChIInChI=1S/C18H27NO4/c1-21-14-4-2-5-15(12-14)23-11-9-19-8-10-22-13-17(19)16-6-3-7-18(16)20/h2,4-5,12,16-18,20H,3,6-11,13H2,1H3/t16-,17+,18+/m0/s1
InChIKeyMDESYZZNTGLXQA-RCCFBDPRSA-N
MW321.42 g/mol
LogP1.94
Rot. Bonds6

About trans-(1R,2S)-2-[(3S)-4-[2-(3-methoxyphenoxy)ethyl]morpholin-3-yl]cyclopentan-1-ol

trans-(1R,2S)-2-[(3S)-4-[2-(3-methoxyphenoxy)ethyl]morpholin-3-yl]cyclopentan-1-ol (PubChem CID 129484070) has the molecular formula C18H27NO4 and a molecular weight of 321.42 g/mol. Its IUPAC name is trans-(1R,2S)-2-[(3S)-4-[2-(3-methoxyphenoxy)ethyl]morpholin-3-yl]cyclopentan-1-ol.

Molecular Properties

Compound Nametrans-(1R,2S)-2-[(3S)-4-[2-(3-methoxyphenoxy)ethyl]morpholin-3-yl]cyclopentan-1-ol
PubChem CID129484070
Molecular FormulaC18H27NO4
Molecular Weight321.42 g/mol
Exact Mass321.19
IUPAC Nametrans-(1R,2S)-2-[(3S)-4-[2-(3-methoxyphenoxy)ethyl]morpholin-3-yl]cyclopentan-1-ol
SMILESCOc1cccc(OCCN2CCOC[C@@H]2[C@@H]2CCC[C@H]2O)c1
InChIInChI=1S/C18H27NO4/c1-21-14-4-2-5-15(12-14)23-11-9-19-8-10-22-13-17(19)16-6-3-7-18(16)20/h2,4-5,12,16-18,20H,3,6-11,13H2,1H3/t16-,17+,18+/m0/s1
InChIKeyMDESYZZNTGLXQA-RCCFBDPRSA-N
XLogP1.94
TPSA51.16 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.42
LogP ≤ 51.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze trans-(1R,2S)-2-[(3S)-4-[2-(3-methoxyphenoxy)ethyl]morpholin-3-yl]cyclopentan-1-ol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-[4-[2-(2-fluorophenoxy)ethyl]morpholin-3-yl]cyclopentan-1-ol
CID 128985759
2-[(3S)-3-[(1R,2R)-2-hydroxycyclopentyl]morpholin-4-yl]-N-[(3-methoxyphenyl)methyl]acetamide
CID 129484481
2-[4-[[4-(2-methoxyethoxy)phenyl]methyl]morpholin-3-yl]cyclopentan-1-ol
CID 167967294
2-[4-[[3-(methoxymethyl)phenyl]methyl]morpholin-3-yl]cyclopentan-1-ol
CID 128982447
4-[2-(3-methoxyphenoxy)ethyl]-3-(1-methylpyrrol-2-yl)morpholine
CID 86803794
(3R,4R)-3-[(2R)-1-[2-(3-ethylphenoxy)ethyl]pyrrolidin-2-yl]oxan-4-ol
CID 129447443
[3-(2-hydroxycyclopentyl)morpholin-4-yl]-(3-propoxyphenyl)methanone
CID 128987935
3-[2-(3-cyclopropylmorpholin-4-yl)ethoxy]benzoic acid
CID 136575380
(2R,3S)-4-[2-(3-methoxyphenoxy)ethyl]-2-methylmorpholine-3-carboxamide
CID 128987031
2-(3-chlorophenoxy)-1-[(3S)-3-[(1R,2R)-2-hydroxycyclopentyl]morpholin-4-yl]ethanone
CID 129486902
3-[[(3S)-3-[(1S,2R)-2-hydroxycyclopentyl]morpholin-4-yl]methyl]-4-methoxybenzonitrile
CID 129346536
2-[2-[(3S)-3-[(1S,2R)-2-methoxycyclopentyl]morpholin-4-yl]ethoxy]benzonitrile
CID 129483611

Frequently Asked Questions

What is the IUPAC name of trans-(1R,2S)-2-[(3S)-4-[2-(3-methoxyphenoxy)ethyl]morpholin-3-yl]cyclopentan-1-ol?
The IUPAC name of trans-(1R,2S)-2-[(3S)-4-[2-(3-methoxyphenoxy)ethyl]morpholin-3-yl]cyclopentan-1-ol (CID 129484070) is trans-(1R,2S)-2-[(3S)-4-[2-(3-methoxyphenoxy)ethyl]morpholin-3-yl]cyclopentan-1-ol.
What is the SMILES notation for trans-(1R,2S)-2-[(3S)-4-[2-(3-methoxyphenoxy)ethyl]morpholin-3-yl]cyclopentan-1-ol?
The canonical SMILES for trans-(1R,2S)-2-[(3S)-4-[2-(3-methoxyphenoxy)ethyl]morpholin-3-yl]cyclopentan-1-ol is COc1cccc(OCCN2CCOC[C@@H]2[C@@H]2CCC[C@H]2O)c1.
What is the InChIKey of trans-(1R,2S)-2-[(3S)-4-[2-(3-methoxyphenoxy)ethyl]morpholin-3-yl]cyclopentan-1-ol?
The InChIKey is MDESYZZNTGLXQA-RCCFBDPRSA-N. The full InChI is InChI=1S/C18H27NO4/c1-21-14-4-2-5-15(12-14)23-11-9-19-8-10-22-13-17(19)16-6-3-7-18(16)20/h2,4-5,12,16-18,20H,3,6-11,13H2,1H3/t16-,17+,18+/m0/s1.
What are the key properties of trans-(1R,2S)-2-[(3S)-4-[2-(3-methoxyphenoxy)ethyl]morpholin-3-yl]cyclopentan-1-ol?
trans-(1R,2S)-2-[(3S)-4-[2-(3-methoxyphenoxy)ethyl]morpholin-3-yl]cyclopentan-1-ol has a molecular weight of 321.42 g/mol, XLogP of 1.94, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for trans-(1R,2S)-2-[(3S)-4-[2-(3-methoxyphenoxy)ethyl]morpholin-3-yl]cyclopentan-1-ol is sourced from PubChem (CID 129484070), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).