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

C17H25NO3 — CID 128985801

IUPAC2-[4-[[4-(hydroxymethyl)phenyl]methyl]morpholin-3-yl]cyclopentan-1-ol
SMILESOCc1ccc(CN2CCOCC2C2CCCC2O)cc1
InChIInChI=1S/C17H25NO3/c19-11-14-6-4-13(5-7-14)10-18-8-9-21-12-16(18)15-2-1-3-17(15)20/h4-7,15-17,19-20H,1-3,8-12H2
InChIKeyNMOISNABVOAFDJ-UHFFFAOYSA-N
MW291.39 g/mol
LogP1.54
Rot. Bonds4

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

2-[4-[[4-(hydroxymethyl)phenyl]methyl]morpholin-3-yl]cyclopentan-1-ol (PubChem CID 128985801) has the molecular formula C17H25NO3 and a molecular weight of 291.39 g/mol. Its IUPAC name is 2-[4-[[4-(hydroxymethyl)phenyl]methyl]morpholin-3-yl]cyclopentan-1-ol.

Molecular Properties

Compound Name2-[4-[[4-(hydroxymethyl)phenyl]methyl]morpholin-3-yl]cyclopentan-1-ol
PubChem CID128985801
Molecular FormulaC17H25NO3
Molecular Weight291.39 g/mol
Exact Mass291.18
IUPAC Name2-[4-[[4-(hydroxymethyl)phenyl]methyl]morpholin-3-yl]cyclopentan-1-ol
SMILESOCc1ccc(CN2CCOCC2C2CCCC2O)cc1
InChIInChI=1S/C17H25NO3/c19-11-14-6-4-13(5-7-14)10-18-8-9-21-12-16(18)15-2-1-3-17(15)20/h4-7,15-17,19-20H,1-3,8-12H2
InChIKeyNMOISNABVOAFDJ-UHFFFAOYSA-N
XLogP1.54
TPSA52.93 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.39
LogP ≤ 51.54
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-[4-[[4-(hydroxymethyl)phenyl]methyl]morpholin-3-yl]cyclopentan-1-ol?
The IUPAC name of 2-[4-[[4-(hydroxymethyl)phenyl]methyl]morpholin-3-yl]cyclopentan-1-ol (CID 128985801) is 2-[4-[[4-(hydroxymethyl)phenyl]methyl]morpholin-3-yl]cyclopentan-1-ol.
What is the SMILES notation for 2-[4-[[4-(hydroxymethyl)phenyl]methyl]morpholin-3-yl]cyclopentan-1-ol?
The canonical SMILES for 2-[4-[[4-(hydroxymethyl)phenyl]methyl]morpholin-3-yl]cyclopentan-1-ol is OCc1ccc(CN2CCOCC2C2CCCC2O)cc1.
What is the InChIKey of 2-[4-[[4-(hydroxymethyl)phenyl]methyl]morpholin-3-yl]cyclopentan-1-ol?
The InChIKey is NMOISNABVOAFDJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25NO3/c19-11-14-6-4-13(5-7-14)10-18-8-9-21-12-16(18)15-2-1-3-17(15)20/h4-7,15-17,19-20H,1-3,8-12H2.
What are the key properties of 2-[4-[[4-(hydroxymethyl)phenyl]methyl]morpholin-3-yl]cyclopentan-1-ol?
2-[4-[[4-(hydroxymethyl)phenyl]methyl]morpholin-3-yl]cyclopentan-1-ol has a molecular weight of 291.39 g/mol, XLogP of 1.54, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[[4-(hydroxymethyl)phenyl]methyl]morpholin-3-yl]cyclopentan-1-ol is sourced from PubChem (CID 128985801), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).