2-[[cyclopropyl(piperidin-3-ylmethyl)amino]methyl]-5-methoxyphenol

C17H26N2O2 — CID 106624786

IUPAC2-[[cyclopropyl(piperidin-3-ylmethyl)amino]methyl]-5-methoxyphenol
SMILESCOc1ccc(CN(CC2CCCNC2)C2CC2)c(O)c1
InChIInChI=1S/C17H26N2O2/c1-21-16-7-4-14(17(20)9-16)12-19(15-5-6-15)11-13-3-2-8-18-10-13/h4,7,9,13,15,18,20H,2-3,5-6,8,10-12H2,1H3
InChIKeyOKOMOKHXLCMMPF-UHFFFAOYSA-N
MW290.41 g/mol
LogP2.36
Rot. Bonds6

About 2-[[cyclopropyl(piperidin-3-ylmethyl)amino]methyl]-5-methoxyphenol

2-[[cyclopropyl(piperidin-3-ylmethyl)amino]methyl]-5-methoxyphenol (PubChem CID 106624786) has the molecular formula C17H26N2O2 and a molecular weight of 290.41 g/mol. Its IUPAC name is 2-[[cyclopropyl(piperidin-3-ylmethyl)amino]methyl]-5-methoxyphenol.

Molecular Properties

Compound Name2-[[cyclopropyl(piperidin-3-ylmethyl)amino]methyl]-5-methoxyphenol
PubChem CID106624786
Molecular FormulaC17H26N2O2
Molecular Weight290.41 g/mol
Exact Mass290.20
IUPAC Name2-[[cyclopropyl(piperidin-3-ylmethyl)amino]methyl]-5-methoxyphenol
SMILESCOc1ccc(CN(CC2CCCNC2)C2CC2)c(O)c1
InChIInChI=1S/C17H26N2O2/c1-21-16-7-4-14(17(20)9-16)12-19(15-5-6-15)11-13-3-2-8-18-10-13/h4,7,9,13,15,18,20H,2-3,5-6,8,10-12H2,1H3
InChIKeyOKOMOKHXLCMMPF-UHFFFAOYSA-N
XLogP2.36
TPSA44.73 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.41
LogP ≤ 52.36
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

N-[(2-bromo-5-methoxyphenyl)methyl]-N-(piperidin-3-ylmethyl)cyclopropanamine
CID 106639732
2-[[cyclopropyl(piperidin-3-ylmethyl)amino]methyl]-4-fluorophenol
CID 107699302
4-bromo-2-[[cyclopropyl(piperidin-3-ylmethyl)amino]methyl]phenol
CID 107739211
4-methoxy-2-[[piperidin-3-ylmethyl(propyl)amino]methyl]phenol
CID 106625159
N-[(2-fluoro-4-methoxyphenyl)methyl]-N-(piperidin-4-ylmethyl)cyclopropanamine
CID 102877828
N-[(2-bromo-4-methylphenyl)methyl]-N-(piperidin-3-ylmethyl)cyclopropanamine
CID 106624762
N-[(2-chloro-4-methylphenyl)methyl]-N-(piperidin-3-ylmethyl)cyclopropanamine
CID 106865765
N-[(2-bromo-5-methoxyphenyl)methyl]-N-(piperidin-4-ylmethyl)cyclopropanamine
CID 79705582
2-[[cyclopentyl(2-methylpropyl)amino]methyl]-5-methoxyphenol
CID 82983460
N-[(3-chloro-4-methoxyphenyl)methyl]-N-(piperidin-3-ylmethyl)cyclopropanamine
CID 106625030
N-[(3-bromo-4-methoxyphenyl)methyl]-N-(piperidin-3-ylmethyl)cyclopropanamine
CID 106624874
5-methoxy-2-[[piperidin-4-ylmethyl(propan-2-yl)amino]methyl]phenol
CID 79698878

Frequently Asked Questions

What is the IUPAC name of 2-[[cyclopropyl(piperidin-3-ylmethyl)amino]methyl]-5-methoxyphenol?
The IUPAC name of 2-[[cyclopropyl(piperidin-3-ylmethyl)amino]methyl]-5-methoxyphenol (CID 106624786) is 2-[[cyclopropyl(piperidin-3-ylmethyl)amino]methyl]-5-methoxyphenol.
What is the SMILES notation for 2-[[cyclopropyl(piperidin-3-ylmethyl)amino]methyl]-5-methoxyphenol?
The canonical SMILES for 2-[[cyclopropyl(piperidin-3-ylmethyl)amino]methyl]-5-methoxyphenol is COc1ccc(CN(CC2CCCNC2)C2CC2)c(O)c1.
What is the InChIKey of 2-[[cyclopropyl(piperidin-3-ylmethyl)amino]methyl]-5-methoxyphenol?
The InChIKey is OKOMOKHXLCMMPF-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H26N2O2/c1-21-16-7-4-14(17(20)9-16)12-19(15-5-6-15)11-13-3-2-8-18-10-13/h4,7,9,13,15,18,20H,2-3,5-6,8,10-12H2,1H3.
What are the key properties of 2-[[cyclopropyl(piperidin-3-ylmethyl)amino]methyl]-5-methoxyphenol?
2-[[cyclopropyl(piperidin-3-ylmethyl)amino]methyl]-5-methoxyphenol has a molecular weight of 290.41 g/mol, XLogP of 2.36, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[cyclopropyl(piperidin-3-ylmethyl)amino]methyl]-5-methoxyphenol is sourced from PubChem (CID 106624786), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).