cis-(1R,2R)-2-[(3S)-4-[2-(2,3-dihydro-1-benzofuran-5-yl)ethyl]morpholin-3-yl]cyclopentan-1-ol

C19H27NO3 — CID 129351561

IUPACcis-(1R,2R)-2-[(3S)-4-[2-(2,3-dihydro-1-benzofuran-5-yl)ethyl]morpholin-3-yl]cyclopentan-1-ol
SMILESO[C@@H]1CCC[C@@H]1[C@H]1COCCN1CCc1ccc2c(c1)CCO2
InChIInChI=1S/C19H27NO3/c21-18-3-1-2-16(18)17-13-22-11-9-20(17)8-6-14-4-5-19-15(12-14)7-10-23-19/h4-5,12,16-18,21H,1-3,6-11,13H2/t16-,17-,18-/m1/s1
InChIKeyAUSRXBFPPFEYTL-KZNAEPCWSA-N
MW317.43 g/mol
LogP2.03
Rot. Bonds4

About cis-(1R,2R)-2-[(3S)-4-[2-(2,3-dihydro-1-benzofuran-5-yl)ethyl]morpholin-3-yl]cyclopentan-1-ol

cis-(1R,2R)-2-[(3S)-4-[2-(2,3-dihydro-1-benzofuran-5-yl)ethyl]morpholin-3-yl]cyclopentan-1-ol (PubChem CID 129351561) has the molecular formula C19H27NO3 and a molecular weight of 317.43 g/mol. Its IUPAC name is cis-(1R,2R)-2-[(3S)-4-[2-(2,3-dihydro-1-benzofuran-5-yl)ethyl]morpholin-3-yl]cyclopentan-1-ol.

Molecular Properties

Compound Namecis-(1R,2R)-2-[(3S)-4-[2-(2,3-dihydro-1-benzofuran-5-yl)ethyl]morpholin-3-yl]cyclopentan-1-ol
PubChem CID129351561
Molecular FormulaC19H27NO3
Molecular Weight317.43 g/mol
Exact Mass317.20
IUPAC Namecis-(1R,2R)-2-[(3S)-4-[2-(2,3-dihydro-1-benzofuran-5-yl)ethyl]morpholin-3-yl]cyclopentan-1-ol
SMILESO[C@@H]1CCC[C@@H]1[C@H]1COCCN1CCc1ccc2c(c1)CCO2
InChIInChI=1S/C19H27NO3/c21-18-3-1-2-16(18)17-13-22-11-9-20(17)8-6-14-4-5-19-15(12-14)7-10-23-19/h4-5,12,16-18,21H,1-3,6-11,13H2/t16-,17-,18-/m1/s1
InChIKeyAUSRXBFPPFEYTL-KZNAEPCWSA-N
XLogP2.03
TPSA41.93 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.43
LogP ≤ 52.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

methyl 4-[2-(2,3-dihydro-1-benzofuran-5-yl)ethyl]morpholine-3-carboxylate
CID 115670642
4-[2-(2,3-dihydro-1-benzofuran-5-yl)ethyl]-3-(1-methylpyrrol-2-yl)morpholine
CID 86803644
2-[4-[[4-(hydroxymethyl)phenyl]methyl]morpholin-3-yl]cyclopentan-1-ol
CID 128985801
(3R)-1-[2-(2,3-dihydro-1-benzofuran-5-yl)ethyl]pyrrolidin-3-ol
CID 46220656
N-[1-[2-(2,3-dihydro-1-benzofuran-5-yl)ethyl]piperidin-3-yl]-N-methylmorpholine-4-carboxamide
CID 172892101
1-[1-[2-(2,3-dihydro-1-benzofuran-5-yl)ethyl]piperidin-2-yl]-N-methylmethanamine
CID 65444676
4-chloro-1-[2-(2,3-dihydro-1-benzofuran-5-yl)ethyl]piperidine
CID 65445385
2-[1-[2-(2,3-dihydro-1-benzofuran-5-yl)ethyl]pyrrolidin-3-yl]ethanol
CID 115665607
N-[[1-[2-(2,3-dihydro-1-benzofuran-5-yl)ethyl]pyrrolidin-2-yl]methyl]propan-2-amine
CID 65446001
3-cyclopropyl-1-[2-(2,3-dihydro-1-benzofuran-5-yl)ethyl]pyrrolidine
CID 154807715
trans-(1R,2S)-2-[(3S)-4-[2-(3-methoxyphenoxy)ethyl]morpholin-3-yl]cyclopentan-1-ol
CID 129484070
N-[2-(2,3-dihydro-1-benzofuran-5-yl)ethyl]oxan-3-amine
CID 65447112

Frequently Asked Questions

What is the IUPAC name of cis-(1R,2R)-2-[(3S)-4-[2-(2,3-dihydro-1-benzofuran-5-yl)ethyl]morpholin-3-yl]cyclopentan-1-ol?
The IUPAC name of cis-(1R,2R)-2-[(3S)-4-[2-(2,3-dihydro-1-benzofuran-5-yl)ethyl]morpholin-3-yl]cyclopentan-1-ol (CID 129351561) is cis-(1R,2R)-2-[(3S)-4-[2-(2,3-dihydro-1-benzofuran-5-yl)ethyl]morpholin-3-yl]cyclopentan-1-ol.
What is the SMILES notation for cis-(1R,2R)-2-[(3S)-4-[2-(2,3-dihydro-1-benzofuran-5-yl)ethyl]morpholin-3-yl]cyclopentan-1-ol?
The canonical SMILES for cis-(1R,2R)-2-[(3S)-4-[2-(2,3-dihydro-1-benzofuran-5-yl)ethyl]morpholin-3-yl]cyclopentan-1-ol is O[C@@H]1CCC[C@@H]1[C@H]1COCCN1CCc1ccc2c(c1)CCO2.
What is the InChIKey of cis-(1R,2R)-2-[(3S)-4-[2-(2,3-dihydro-1-benzofuran-5-yl)ethyl]morpholin-3-yl]cyclopentan-1-ol?
The InChIKey is AUSRXBFPPFEYTL-KZNAEPCWSA-N. The full InChI is InChI=1S/C19H27NO3/c21-18-3-1-2-16(18)17-13-22-11-9-20(17)8-6-14-4-5-19-15(12-14)7-10-23-19/h4-5,12,16-18,21H,1-3,6-11,13H2/t16-,17-,18-/m1/s1.
What are the key properties of cis-(1R,2R)-2-[(3S)-4-[2-(2,3-dihydro-1-benzofuran-5-yl)ethyl]morpholin-3-yl]cyclopentan-1-ol?
cis-(1R,2R)-2-[(3S)-4-[2-(2,3-dihydro-1-benzofuran-5-yl)ethyl]morpholin-3-yl]cyclopentan-1-ol has a molecular weight of 317.43 g/mol, XLogP of 2.03, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for cis-(1R,2R)-2-[(3S)-4-[2-(2,3-dihydro-1-benzofuran-5-yl)ethyl]morpholin-3-yl]cyclopentan-1-ol is sourced from PubChem (CID 129351561), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).