2-[4-[[4-(2-methoxyethoxy)phenyl]methyl]morpholin-3-yl]cyclopentan-1-ol

C19H29NO4 — CID 167967294

IUPAC2-[4-[[4-(2-methoxyethoxy)phenyl]methyl]morpholin-3-yl]cyclopentan-1-ol
SMILESCOCCOc1ccc(CN2CCOCC2C2CCCC2O)cc1
InChIInChI=1S/C19H29NO4/c1-22-11-12-24-16-7-5-15(6-8-16)13-20-9-10-23-14-18(20)17-3-2-4-19(17)21/h5-8,17-19,21H,2-4,9-14H2,1H3
InChIKeyAVKJRXFITPKFHK-UHFFFAOYSA-N
MW335.44 g/mol
LogP2.07
Rot. Bonds7

About 2-[4-[[4-(2-methoxyethoxy)phenyl]methyl]morpholin-3-yl]cyclopentan-1-ol

2-[4-[[4-(2-methoxyethoxy)phenyl]methyl]morpholin-3-yl]cyclopentan-1-ol (PubChem CID 167967294) has the molecular formula C19H29NO4 and a molecular weight of 335.44 g/mol. Its IUPAC name is 2-[4-[[4-(2-methoxyethoxy)phenyl]methyl]morpholin-3-yl]cyclopentan-1-ol.

Molecular Properties

Compound Name2-[4-[[4-(2-methoxyethoxy)phenyl]methyl]morpholin-3-yl]cyclopentan-1-ol
PubChem CID167967294
Molecular FormulaC19H29NO4
Molecular Weight335.44 g/mol
Exact Mass335.21
IUPAC Name2-[4-[[4-(2-methoxyethoxy)phenyl]methyl]morpholin-3-yl]cyclopentan-1-ol
SMILESCOCCOc1ccc(CN2CCOCC2C2CCCC2O)cc1
InChIInChI=1S/C19H29NO4/c1-22-11-12-24-16-7-5-15(6-8-16)13-20-9-10-23-14-18(20)17-3-2-4-19(17)21/h5-8,17-19,21H,2-4,9-14H2,1H3
InChIKeyAVKJRXFITPKFHK-UHFFFAOYSA-N
XLogP2.07
TPSA51.16 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.44
LogP ≤ 52.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-[4-[[4-(2-methoxyethoxy)phenyl]methyl]morpholin-3-yl]cyclopentan-1-ol?
The IUPAC name of 2-[4-[[4-(2-methoxyethoxy)phenyl]methyl]morpholin-3-yl]cyclopentan-1-ol (CID 167967294) is 2-[4-[[4-(2-methoxyethoxy)phenyl]methyl]morpholin-3-yl]cyclopentan-1-ol.
What is the SMILES notation for 2-[4-[[4-(2-methoxyethoxy)phenyl]methyl]morpholin-3-yl]cyclopentan-1-ol?
The canonical SMILES for 2-[4-[[4-(2-methoxyethoxy)phenyl]methyl]morpholin-3-yl]cyclopentan-1-ol is COCCOc1ccc(CN2CCOCC2C2CCCC2O)cc1.
What is the InChIKey of 2-[4-[[4-(2-methoxyethoxy)phenyl]methyl]morpholin-3-yl]cyclopentan-1-ol?
The InChIKey is AVKJRXFITPKFHK-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H29NO4/c1-22-11-12-24-16-7-5-15(6-8-16)13-20-9-10-23-14-18(20)17-3-2-4-19(17)21/h5-8,17-19,21H,2-4,9-14H2,1H3.
What are the key properties of 2-[4-[[4-(2-methoxyethoxy)phenyl]methyl]morpholin-3-yl]cyclopentan-1-ol?
2-[4-[[4-(2-methoxyethoxy)phenyl]methyl]morpholin-3-yl]cyclopentan-1-ol has a molecular weight of 335.44 g/mol, XLogP of 2.07, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[[4-(2-methoxyethoxy)phenyl]methyl]morpholin-3-yl]cyclopentan-1-ol is sourced from PubChem (CID 167967294), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).