2-(morpholin-4-ylmethyl)-5-(piperidin-1-ylmethyl)benzene-1,4-diol

C17H26N2O3 — CID 90293198

IUPAC2-(morpholin-4-ylmethyl)-5-(piperidin-1-ylmethyl)benzene-1,4-diol
SMILESOc1cc(CN2CCOCC2)c(O)cc1CN1CCCCC1
InChIInChI=1S/C17H26N2O3/c20-16-11-15(13-19-6-8-22-9-7-19)17(21)10-14(16)12-18-4-2-1-3-5-18/h10-11,20-21H,1-9,12-13H2
InChIKeyGMPNJKNWZWWUQC-UHFFFAOYSA-N
MW306.41 g/mol
LogP1.92
Rot. Bonds4

About 2-(morpholin-4-ylmethyl)-5-(piperidin-1-ylmethyl)benzene-1,4-diol

2-(morpholin-4-ylmethyl)-5-(piperidin-1-ylmethyl)benzene-1,4-diol (PubChem CID 90293198) has the molecular formula C17H26N2O3 and a molecular weight of 306.41 g/mol. Its IUPAC name is 2-(morpholin-4-ylmethyl)-5-(piperidin-1-ylmethyl)benzene-1,4-diol.

Molecular Properties

Compound Name2-(morpholin-4-ylmethyl)-5-(piperidin-1-ylmethyl)benzene-1,4-diol
PubChem CID90293198
Molecular FormulaC17H26N2O3
Molecular Weight306.41 g/mol
Exact Mass306.19
IUPAC Name2-(morpholin-4-ylmethyl)-5-(piperidin-1-ylmethyl)benzene-1,4-diol
SMILESOc1cc(CN2CCOCC2)c(O)cc1CN1CCCCC1
InChIInChI=1S/C17H26N2O3/c20-16-11-15(13-19-6-8-22-9-7-19)17(21)10-14(16)12-18-4-2-1-3-5-18/h10-11,20-21H,1-9,12-13H2
InChIKeyGMPNJKNWZWWUQC-UHFFFAOYSA-N
XLogP1.92
TPSA56.17 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.41
LogP ≤ 51.92
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'mannich_A(296)', 'substructure': 'N/A'}, {'alert_name': 'hydroquinone', 'substructure': 'N/A'}

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Related Compounds

4,5-dibromo-2-(piperidin-1-ylmethyl)phenol
CID 175396121
2,4-bis(morpholin-4-ylmethyl)-6-(1,4-oxazepan-4-ylmethyl)phenol
CID 144964322
5-amino-2-(morpholin-4-ylmethyl)phenol
CID 19799808
4-methyl-2-(1,4,7-trioxa-10-azacyclododec-10-ylmethyl)phenol
CID 11779275
2-fluoro-4-(1,4-oxazepan-4-ylmethyl)phenol
CID 107694057
5-(azepan-1-ylmethyl)-4-hydroxy-3-(morpholin-4-ylmethyl)pyran-2-one
CID 71701165
4,5-dimethyl-2-[[4-(morpholin-4-ylmethyl)piperidin-1-yl]methyl]phenol
CID 60526509
4-methyl-2,6-bis(1,4,7,10,13-pentaoxa-16-azacyclooctadec-16-ylmethyl)phenol
CID 10462009
4-[[4-[4-(piperidin-1-ylmethyl)phenyl]phenyl]methyl]morpholine
CID 44588214
4-[(3-fluoro-5-iodo-2-methylphenyl)methyl]morpholine
CID 146419337
4-[(Z)-2-[4-hydroxy-3-(piperidin-1-ylmethyl)phenyl]ethenyl]-2-(piperidin-1-ylmethyl)phenol
CID 46240407
4-chloro-2-(piperidin-1-ylmethyl)phenol;hydrochloride
CID 15576412

Frequently Asked Questions

What is the IUPAC name of 2-(morpholin-4-ylmethyl)-5-(piperidin-1-ylmethyl)benzene-1,4-diol?
The IUPAC name of 2-(morpholin-4-ylmethyl)-5-(piperidin-1-ylmethyl)benzene-1,4-diol (CID 90293198) is 2-(morpholin-4-ylmethyl)-5-(piperidin-1-ylmethyl)benzene-1,4-diol.
What is the SMILES notation for 2-(morpholin-4-ylmethyl)-5-(piperidin-1-ylmethyl)benzene-1,4-diol?
The canonical SMILES for 2-(morpholin-4-ylmethyl)-5-(piperidin-1-ylmethyl)benzene-1,4-diol is Oc1cc(CN2CCOCC2)c(O)cc1CN1CCCCC1.
What is the InChIKey of 2-(morpholin-4-ylmethyl)-5-(piperidin-1-ylmethyl)benzene-1,4-diol?
The InChIKey is GMPNJKNWZWWUQC-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H26N2O3/c20-16-11-15(13-19-6-8-22-9-7-19)17(21)10-14(16)12-18-4-2-1-3-5-18/h10-11,20-21H,1-9,12-13H2.
What are the key properties of 2-(morpholin-4-ylmethyl)-5-(piperidin-1-ylmethyl)benzene-1,4-diol?
2-(morpholin-4-ylmethyl)-5-(piperidin-1-ylmethyl)benzene-1,4-diol has a molecular weight of 306.41 g/mol, XLogP of 1.92, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(morpholin-4-ylmethyl)-5-(piperidin-1-ylmethyl)benzene-1,4-diol is sourced from PubChem (CID 90293198), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).