4-[[cyclopropyl(piperidin-2-ylmethyl)amino]methyl]-2,6-dimethylphenol

C18H28N2O — CID 106621618

IUPAC4-[[cyclopropyl(piperidin-2-ylmethyl)amino]methyl]-2,6-dimethylphenol
SMILESCc1cc(CN(CC2CCCCN2)C2CC2)cc(C)c1O
InChIInChI=1S/C18H28N2O/c1-13-9-15(10-14(2)18(13)21)11-20(17-6-7-17)12-16-5-3-4-8-19-16/h9-10,16-17,19,21H,3-8,11-12H2,1-2H3
InChIKeyVPQYAMYSFFPHDW-UHFFFAOYSA-N
MW288.44 g/mol
LogP3.12
Rot. Bonds5

About 4-[[cyclopropyl(piperidin-2-ylmethyl)amino]methyl]-2,6-dimethylphenol

4-[[cyclopropyl(piperidin-2-ylmethyl)amino]methyl]-2,6-dimethylphenol (PubChem CID 106621618) has the molecular formula C18H28N2O and a molecular weight of 288.44 g/mol. Its IUPAC name is 4-[[cyclopropyl(piperidin-2-ylmethyl)amino]methyl]-2,6-dimethylphenol.

Molecular Properties

Compound Name4-[[cyclopropyl(piperidin-2-ylmethyl)amino]methyl]-2,6-dimethylphenol
PubChem CID106621618
Molecular FormulaC18H28N2O
Molecular Weight288.44 g/mol
Exact Mass288.22
IUPAC Name4-[[cyclopropyl(piperidin-2-ylmethyl)amino]methyl]-2,6-dimethylphenol
SMILESCc1cc(CN(CC2CCCCN2)C2CC2)cc(C)c1O
InChIInChI=1S/C18H28N2O/c1-13-9-15(10-14(2)18(13)21)11-20(17-6-7-17)12-16-5-3-4-8-19-16/h9-10,16-17,19,21H,3-8,11-12H2,1-2H3
InChIKeyVPQYAMYSFFPHDW-UHFFFAOYSA-N
XLogP3.12
TPSA35.50 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.44
LogP ≤ 53.12
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-[(3,4-dimethylphenyl)methyl]-N-(pyrrolidin-2-ylmethyl)cyclopropanamine
CID 106599047
4-[[cyclohexyl-[(4-hydroxy-3,5-dimethylphenyl)methyl]amino]methyl]-2,6-dimethylphenol
CID 4916282
N-[(4-methoxy-3-methylphenyl)methyl]-N-(pyrrolidin-2-ylmethyl)cyclopropanamine
CID 106599006
2-bromo-4-[[cyclopropyl(pyrrolidin-2-ylmethyl)amino]methyl]-6-methoxyphenol
CID 104973956
4-[[cyclohexyl(ethyl)amino]methyl]-2,6-dimethylphenol
CID 78907248
N-[(5-fluoro-2-methylphenyl)methyl]-N-(pyrrolidin-2-ylmethyl)cyclopropanamine
CID 106599700
N-[(3-fluorophenyl)methyl]-N-(piperidin-2-ylmethyl)cyclopropanamine
CID 106621509
4-[[cyclopropyl(piperidin-2-ylmethyl)amino]methyl]benzamide
CID 106631671
N-[(2-chloro-4-methylphenyl)methyl]-N-(piperidin-2-ylmethyl)cyclopropanamine
CID 106865751
N-[(4-bromo-3-fluorophenyl)methyl]-N-(piperidin-2-ylmethyl)cyclopropanamine
CID 106621759
N-[(3-bromo-4-fluorophenyl)methyl]-N-(piperidin-2-ylmethyl)cyclopropanamine
CID 106621823
N-[(3-bromo-4-methoxyphenyl)methyl]-N-(piperidin-2-ylmethyl)cyclopropanamine
CID 106621675

Frequently Asked Questions

What is the IUPAC name of 4-[[cyclopropyl(piperidin-2-ylmethyl)amino]methyl]-2,6-dimethylphenol?
The IUPAC name of 4-[[cyclopropyl(piperidin-2-ylmethyl)amino]methyl]-2,6-dimethylphenol (CID 106621618) is 4-[[cyclopropyl(piperidin-2-ylmethyl)amino]methyl]-2,6-dimethylphenol.
What is the SMILES notation for 4-[[cyclopropyl(piperidin-2-ylmethyl)amino]methyl]-2,6-dimethylphenol?
The canonical SMILES for 4-[[cyclopropyl(piperidin-2-ylmethyl)amino]methyl]-2,6-dimethylphenol is Cc1cc(CN(CC2CCCCN2)C2CC2)cc(C)c1O.
What is the InChIKey of 4-[[cyclopropyl(piperidin-2-ylmethyl)amino]methyl]-2,6-dimethylphenol?
The InChIKey is VPQYAMYSFFPHDW-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H28N2O/c1-13-9-15(10-14(2)18(13)21)11-20(17-6-7-17)12-16-5-3-4-8-19-16/h9-10,16-17,19,21H,3-8,11-12H2,1-2H3.
What are the key properties of 4-[[cyclopropyl(piperidin-2-ylmethyl)amino]methyl]-2,6-dimethylphenol?
4-[[cyclopropyl(piperidin-2-ylmethyl)amino]methyl]-2,6-dimethylphenol has a molecular weight of 288.44 g/mol, XLogP of 3.12, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[cyclopropyl(piperidin-2-ylmethyl)amino]methyl]-2,6-dimethylphenol is sourced from PubChem (CID 106621618), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).