2-methoxy-6-[[piperidin-3-ylmethyl(propan-2-yl)amino]methyl]phenol

C17H28N2O2 — CID 106623984

IUPAC2-methoxy-6-[[piperidin-3-ylmethyl(propan-2-yl)amino]methyl]phenol
SMILESCOc1cccc(CN(CC2CCCNC2)C(C)C)c1O
InChIInChI=1S/C17H28N2O2/c1-13(2)19(11-14-6-5-9-18-10-14)12-15-7-4-8-16(21-3)17(15)20/h4,7-8,13-14,18,20H,5-6,9-12H2,1-3H3
InChIKeyRWECDBKRGIMBPH-UHFFFAOYSA-N
MW292.42 g/mol
LogP2.61
Rot. Bonds6

About 2-methoxy-6-[[piperidin-3-ylmethyl(propan-2-yl)amino]methyl]phenol

2-methoxy-6-[[piperidin-3-ylmethyl(propan-2-yl)amino]methyl]phenol (PubChem CID 106623984) has the molecular formula C17H28N2O2 and a molecular weight of 292.42 g/mol. Its IUPAC name is 2-methoxy-6-[[piperidin-3-ylmethyl(propan-2-yl)amino]methyl]phenol.

Molecular Properties

Compound Name2-methoxy-6-[[piperidin-3-ylmethyl(propan-2-yl)amino]methyl]phenol
PubChem CID106623984
Molecular FormulaC17H28N2O2
Molecular Weight292.42 g/mol
Exact Mass292.22
IUPAC Name2-methoxy-6-[[piperidin-3-ylmethyl(propan-2-yl)amino]methyl]phenol
SMILESCOc1cccc(CN(CC2CCCNC2)C(C)C)c1O
InChIInChI=1S/C17H28N2O2/c1-13(2)19(11-14-6-5-9-18-10-14)12-15-7-4-8-16(21-3)17(15)20/h4,7-8,13-14,18,20H,5-6,9-12H2,1-3H3
InChIKeyRWECDBKRGIMBPH-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

2-methoxy-6-(piperidin-3-ylmethyl)phenol
CID 117316206
N-[(2-methoxy-5-methylphenyl)methyl]-N-(piperidin-3-ylmethyl)propan-2-amine
CID 106637432
N-[(2-chloro-3-fluorophenyl)methyl]-N-(piperidin-3-ylmethyl)propan-2-amine
CID 106637313
2-[[ethyl(piperidin-3-yl)amino]methyl]-6-methoxyphenol
CID 63642755
N-[(4-methoxy-3-methylphenyl)methyl]-N-(piperidin-3-ylmethyl)propan-2-amine
CID 106624044
N-[(2-bromo-5-fluorophenyl)methyl]-N-(piperidin-3-ylmethyl)propan-2-amine
CID 106637553
N-[(2-chloro-3-pyridinyl)methyl]-N-(piperidin-3-ylmethyl)propan-2-amine
CID 106637770
N-[(2-fluoro-3-methoxyphenyl)methyl]-N-methyl-1-piperidin-3-ylmethanamine
CID 106636991
2,6-dimethyl-4-[[piperidin-3-ylmethyl(propan-2-yl)amino]methyl]phenol
CID 106624038
3-[(2-methoxyphenyl)methyl]piperidine
CID 5005916
N-[2-(2-methylphenoxy)ethyl]-N-(piperidin-3-ylmethyl)propan-2-amine
CID 106637808
2-(2-hydroxyphenyl)-N-(piperidin-3-ylmethyl)-N-propan-2-ylacetamide
CID 106629125

Frequently Asked Questions

What is the IUPAC name of 2-methoxy-6-[[piperidin-3-ylmethyl(propan-2-yl)amino]methyl]phenol?
The IUPAC name of 2-methoxy-6-[[piperidin-3-ylmethyl(propan-2-yl)amino]methyl]phenol (CID 106623984) is 2-methoxy-6-[[piperidin-3-ylmethyl(propan-2-yl)amino]methyl]phenol.
What is the SMILES notation for 2-methoxy-6-[[piperidin-3-ylmethyl(propan-2-yl)amino]methyl]phenol?
The canonical SMILES for 2-methoxy-6-[[piperidin-3-ylmethyl(propan-2-yl)amino]methyl]phenol is COc1cccc(CN(CC2CCCNC2)C(C)C)c1O.
What is the InChIKey of 2-methoxy-6-[[piperidin-3-ylmethyl(propan-2-yl)amino]methyl]phenol?
The InChIKey is RWECDBKRGIMBPH-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H28N2O2/c1-13(2)19(11-14-6-5-9-18-10-14)12-15-7-4-8-16(21-3)17(15)20/h4,7-8,13-14,18,20H,5-6,9-12H2,1-3H3.
What are the key properties of 2-methoxy-6-[[piperidin-3-ylmethyl(propan-2-yl)amino]methyl]phenol?
2-methoxy-6-[[piperidin-3-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 2-methoxy-6-[[piperidin-3-ylmethyl(propan-2-yl)amino]methyl]phenol is sourced from PubChem (CID 106623984), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).