5-methoxy-2-[[piperidin-4-ylmethyl(propan-2-yl)amino]methyl]phenol

C17H28N2O2 — CID 79698878

IUPAC5-methoxy-2-[[piperidin-4-ylmethyl(propan-2-yl)amino]methyl]phenol
SMILESCOc1ccc(CN(CC2CCNCC2)C(C)C)c(O)c1
InChIInChI=1S/C17H28N2O2/c1-13(2)19(11-14-6-8-18-9-7-14)12-15-4-5-16(21-3)10-17(15)20/h4-5,10,13-14,18,20H,6-9,11-12H2,1-3H3
InChIKeyYRSUMQOZIVRAPP-UHFFFAOYSA-N
MW292.42 g/mol
LogP2.61
Rot. Bonds6

About 5-methoxy-2-[[piperidin-4-ylmethyl(propan-2-yl)amino]methyl]phenol

5-methoxy-2-[[piperidin-4-ylmethyl(propan-2-yl)amino]methyl]phenol (PubChem CID 79698878) has the molecular formula C17H28N2O2 and a molecular weight of 292.42 g/mol. Its IUPAC name is 5-methoxy-2-[[piperidin-4-ylmethyl(propan-2-yl)amino]methyl]phenol.

Molecular Properties

Compound Name5-methoxy-2-[[piperidin-4-ylmethyl(propan-2-yl)amino]methyl]phenol
PubChem CID79698878
Molecular FormulaC17H28N2O2
Molecular Weight292.42 g/mol
Exact Mass292.22
IUPAC Name5-methoxy-2-[[piperidin-4-ylmethyl(propan-2-yl)amino]methyl]phenol
SMILESCOc1ccc(CN(CC2CCNCC2)C(C)C)c(O)c1
InChIInChI=1S/C17H28N2O2/c1-13(2)19(11-14-6-8-18-9-7-14)12-15-4-5-16(21-3)10-17(15)20/h4-5,10,13-14,18,20H,6-9,11-12H2,1-3H3
InChIKeyYRSUMQOZIVRAPP-UHFFFAOYSA-N
XLogP2.61
TPSA44.73 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.42
LogP ≤ 52.61
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

5-methoxy-2-[[piperidin-2-ylmethyl(propan-2-yl)amino]methyl]phenol
CID 106621980
2-fluoro-4-[[piperidin-4-ylmethyl(propan-2-yl)amino]methyl]phenol
CID 107692120
N-[(2-fluorophenyl)methyl]-N-(piperidin-4-ylmethyl)propan-2-amine
CID 79715212
N-[[4-(methoxymethyl)phenyl]methyl]-N-(piperidin-4-ylmethyl)propan-2-amine
CID 79698883
N-[(2-fluoro-4-methoxyphenyl)methyl]-N-(piperidin-4-ylmethyl)cyclopropanamine
CID 102877828
2-[(dimethylamino)methyl]-5-methoxyphenol
CID 18933640
6-methyl-2-[[piperidin-4-ylmethyl(propan-2-yl)amino]methyl]pyridin-3-ol
CID 79715932
2-[[cyclopropyl(piperidin-3-ylmethyl)amino]methyl]-5-methoxyphenol
CID 106624786
N-(cyclopropylmethyl)-2-hydroxy-5-methoxy-N-propan-2-ylbenzamide
CID 54945861
N-[(3-chloro-4-methoxyphenyl)methyl]-N-(piperidin-4-ylmethyl)propan-2-amine
CID 79698882
2-[[cyclopentyl(2-methylpropyl)amino]methyl]-5-methoxyphenol
CID 82983460
N-[(3-bromo-4-fluorophenyl)methyl]-N-(piperidin-4-ylmethyl)propan-2-amine
CID 79715714

Frequently Asked Questions

What is the IUPAC name of 5-methoxy-2-[[piperidin-4-ylmethyl(propan-2-yl)amino]methyl]phenol?
The IUPAC name of 5-methoxy-2-[[piperidin-4-ylmethyl(propan-2-yl)amino]methyl]phenol (CID 79698878) is 5-methoxy-2-[[piperidin-4-ylmethyl(propan-2-yl)amino]methyl]phenol.
What is the SMILES notation for 5-methoxy-2-[[piperidin-4-ylmethyl(propan-2-yl)amino]methyl]phenol?
The canonical SMILES for 5-methoxy-2-[[piperidin-4-ylmethyl(propan-2-yl)amino]methyl]phenol is COc1ccc(CN(CC2CCNCC2)C(C)C)c(O)c1.
What is the InChIKey of 5-methoxy-2-[[piperidin-4-ylmethyl(propan-2-yl)amino]methyl]phenol?
The InChIKey is YRSUMQOZIVRAPP-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H28N2O2/c1-13(2)19(11-14-6-8-18-9-7-14)12-15-4-5-16(21-3)10-17(15)20/h4-5,10,13-14,18,20H,6-9,11-12H2,1-3H3.
What are the key properties of 5-methoxy-2-[[piperidin-4-ylmethyl(propan-2-yl)amino]methyl]phenol?
5-methoxy-2-[[piperidin-4-ylmethyl(propan-2-yl)amino]methyl]phenol has a molecular weight of 292.42 g/mol, XLogP of 2.61, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methoxy-2-[[piperidin-4-ylmethyl(propan-2-yl)amino]methyl]phenol is sourced from PubChem (CID 79698878), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).