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

C17H28N2O2 — CID 106621980

IUPAC5-methoxy-2-[[piperidin-2-ylmethyl(propan-2-yl)amino]methyl]phenol
SMILESCOc1ccc(CN(CC2CCCCN2)C(C)C)c(O)c1
InChIInChI=1S/C17H28N2O2/c1-13(2)19(12-15-6-4-5-9-18-15)11-14-7-8-16(21-3)10-17(14)20/h7-8,10,13,15,18,20H,4-6,9,11-12H2,1-3H3
InChIKeyKQIQCPVOBLKFEG-UHFFFAOYSA-N
MW292.42 g/mol
LogP2.75
Rot. Bonds6

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

5-methoxy-2-[[piperidin-2-ylmethyl(propan-2-yl)amino]methyl]phenol (PubChem CID 106621980) has the molecular formula C17H28N2O2 and a molecular weight of 292.42 g/mol. Its IUPAC name is 5-methoxy-2-[[piperidin-2-ylmethyl(propan-2-yl)amino]methyl]phenol.

Molecular Properties

Compound Name5-methoxy-2-[[piperidin-2-ylmethyl(propan-2-yl)amino]methyl]phenol
PubChem CID106621980
Molecular FormulaC17H28N2O2
Molecular Weight292.42 g/mol
Exact Mass292.22
IUPAC Name5-methoxy-2-[[piperidin-2-ylmethyl(propan-2-yl)amino]methyl]phenol
SMILESCOc1ccc(CN(CC2CCCCN2)C(C)C)c(O)c1
InChIInChI=1S/C17H28N2O2/c1-13(2)19(12-15-6-4-5-9-18-15)11-14-7-8-16(21-3)10-17(14)20/h7-8,10,13,15,18,20H,4-6,9,11-12H2,1-3H3
InChIKeyKQIQCPVOBLKFEG-UHFFFAOYSA-N
XLogP2.75
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 ≤ 52.75
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-4-ylmethyl(propan-2-yl)amino]methyl]phenol
CID 79698878
3-[[piperidin-2-ylmethyl(propan-2-yl)amino]methyl]phenol
CID 106622282
2-fluoro-4-methoxy-N-propan-2-yl-N-(pyrrolidin-2-ylmethyl)benzamide
CID 106609970
3-fluoro-5-[[piperidin-2-ylmethyl(propan-2-yl)amino]methyl]phenol
CID 106622268
2-[[cyclopentyl(2-methylpropyl)amino]methyl]-5-methoxyphenol
CID 82983460
N-[[4-(methoxymethyl)phenyl]methyl]-N-(pyrrolidin-2-ylmethyl)propan-2-amine
CID 106603195
N-[(2-chloro-5-fluorophenyl)methyl]-N-(pyrrolidin-2-ylmethyl)propan-2-amine
CID 106614617
N-[(4-propan-2-yloxyphenyl)methyl]-N-(pyrrolidin-2-ylmethyl)propan-2-amine
CID 106603065
N-[[3-(methoxymethyl)phenyl]methyl]-N-(pyrrolidin-2-ylmethyl)propan-2-amine
CID 106603247
N-[(4-iodophenyl)methyl]-N-(piperidin-2-ylmethyl)propan-2-amine
CID 106631924
N-(2,3-dihydro-1H-inden-5-ylmethyl)-N-(piperidin-2-ylmethyl)propan-2-amine
CID 106631918
N-[1-(3-methoxyphenyl)ethyl]-N-(pyrrolidin-2-ylmethyl)propan-2-amine
CID 106603171

Frequently Asked Questions

What is the IUPAC name of 5-methoxy-2-[[piperidin-2-ylmethyl(propan-2-yl)amino]methyl]phenol?
The IUPAC name of 5-methoxy-2-[[piperidin-2-ylmethyl(propan-2-yl)amino]methyl]phenol (CID 106621980) is 5-methoxy-2-[[piperidin-2-ylmethyl(propan-2-yl)amino]methyl]phenol.
What is the SMILES notation for 5-methoxy-2-[[piperidin-2-ylmethyl(propan-2-yl)amino]methyl]phenol?
The canonical SMILES for 5-methoxy-2-[[piperidin-2-ylmethyl(propan-2-yl)amino]methyl]phenol is COc1ccc(CN(CC2CCCCN2)C(C)C)c(O)c1.
What is the InChIKey of 5-methoxy-2-[[piperidin-2-ylmethyl(propan-2-yl)amino]methyl]phenol?
The InChIKey is KQIQCPVOBLKFEG-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H28N2O2/c1-13(2)19(12-15-6-4-5-9-18-15)11-14-7-8-16(21-3)10-17(14)20/h7-8,10,13,15,18,20H,4-6,9,11-12H2,1-3H3.
What are the key properties of 5-methoxy-2-[[piperidin-2-ylmethyl(propan-2-yl)amino]methyl]phenol?
5-methoxy-2-[[piperidin-2-ylmethyl(propan-2-yl)amino]methyl]phenol has a molecular weight of 292.42 g/mol, XLogP of 2.75, 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-2-ylmethyl(propan-2-yl)amino]methyl]phenol is sourced from PubChem (CID 106621980), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).