2,6-dimethyl-4-[[piperidin-3-ylmethyl(propan-2-yl)amino]methyl]phenol

C18H30N2O — CID 106624038

IUPAC2,6-dimethyl-4-[[piperidin-3-ylmethyl(propan-2-yl)amino]methyl]phenol
SMILESCc1cc(CN(CC2CCCNC2)C(C)C)cc(C)c1O
InChIInChI=1S/C18H30N2O/c1-13(2)20(11-16-6-5-7-19-10-16)12-17-8-14(3)18(21)15(4)9-17/h8-9,13,16,19,21H,5-7,10-12H2,1-4H3
InChIKeyQFZBHJDDMVTAEX-UHFFFAOYSA-N
MW290.45 g/mol
LogP3.22
Rot. Bonds5

About 2,6-dimethyl-4-[[piperidin-3-ylmethyl(propan-2-yl)amino]methyl]phenol

2,6-dimethyl-4-[[piperidin-3-ylmethyl(propan-2-yl)amino]methyl]phenol (PubChem CID 106624038) has the molecular formula C18H30N2O and a molecular weight of 290.45 g/mol. Its IUPAC name is 2,6-dimethyl-4-[[piperidin-3-ylmethyl(propan-2-yl)amino]methyl]phenol.

Molecular Properties

Compound Name2,6-dimethyl-4-[[piperidin-3-ylmethyl(propan-2-yl)amino]methyl]phenol
PubChem CID106624038
Molecular FormulaC18H30N2O
Molecular Weight290.45 g/mol
Exact Mass290.24
IUPAC Name2,6-dimethyl-4-[[piperidin-3-ylmethyl(propan-2-yl)amino]methyl]phenol
SMILESCc1cc(CN(CC2CCCNC2)C(C)C)cc(C)c1O
InChIInChI=1S/C18H30N2O/c1-13(2)20(11-16-6-5-7-19-10-16)12-17-8-14(3)18(21)15(4)9-17/h8-9,13,16,19,21H,5-7,10-12H2,1-4H3
InChIKeyQFZBHJDDMVTAEX-UHFFFAOYSA-N
XLogP3.22
TPSA35.50 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.45
LogP ≤ 53.22
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-[(4-methoxy-3-methylphenyl)methyl]-N-(piperidin-3-ylmethyl)propan-2-amine
CID 106624044
N-[(3-bromo-4-methylphenyl)methyl]-N-(piperidin-3-ylmethyl)propan-2-amine
CID 106624214
N-(2,3-dihydro-1H-inden-5-ylmethyl)-N-(piperidin-3-ylmethyl)propan-2-amine
CID 106637480
3-[[piperidin-3-ylmethyl(propan-2-yl)amino]methyl]benzamide
CID 106637286
N-[(3,5-dichlorophenyl)methyl]-N-[[(3R)-pyrrolidin-3-yl]methyl]propan-2-amine
CID 11680997
N-[(4-bromothiophen-2-yl)methyl]-N-(piperidin-3-ylmethyl)propan-2-amine
CID 106624142
N-(cycloheptylmethyl)-N-(piperidin-3-ylmethyl)propan-2-amine
CID 106624258
2-methoxy-6-[[piperidin-3-ylmethyl(propan-2-yl)amino]methyl]phenol
CID 106623984
N-[(4,5-dibromothiophen-2-yl)methyl]-N-(piperidin-3-ylmethyl)propan-2-amine
CID 106624273
N-[(2-methoxy-5-methylphenyl)methyl]-N-(piperidin-3-ylmethyl)propan-2-amine
CID 106637432
2-methyl-N-(piperidin-3-ylmethyl)-N-propan-2-ylpropan-1-amine;hydrochloride
CID 119930509
N-benzyl-N-[[(3R)-pyrrolidin-3-yl]methyl]propan-2-amine
CID 94408590

Frequently Asked Questions

What is the IUPAC name of 2,6-dimethyl-4-[[piperidin-3-ylmethyl(propan-2-yl)amino]methyl]phenol?
The IUPAC name of 2,6-dimethyl-4-[[piperidin-3-ylmethyl(propan-2-yl)amino]methyl]phenol (CID 106624038) is 2,6-dimethyl-4-[[piperidin-3-ylmethyl(propan-2-yl)amino]methyl]phenol.
What is the SMILES notation for 2,6-dimethyl-4-[[piperidin-3-ylmethyl(propan-2-yl)amino]methyl]phenol?
The canonical SMILES for 2,6-dimethyl-4-[[piperidin-3-ylmethyl(propan-2-yl)amino]methyl]phenol is Cc1cc(CN(CC2CCCNC2)C(C)C)cc(C)c1O.
What is the InChIKey of 2,6-dimethyl-4-[[piperidin-3-ylmethyl(propan-2-yl)amino]methyl]phenol?
The InChIKey is QFZBHJDDMVTAEX-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H30N2O/c1-13(2)20(11-16-6-5-7-19-10-16)12-17-8-14(3)18(21)15(4)9-17/h8-9,13,16,19,21H,5-7,10-12H2,1-4H3.
What are the key properties of 2,6-dimethyl-4-[[piperidin-3-ylmethyl(propan-2-yl)amino]methyl]phenol?
2,6-dimethyl-4-[[piperidin-3-ylmethyl(propan-2-yl)amino]methyl]phenol has a molecular weight of 290.45 g/mol, XLogP of 3.22, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,6-dimethyl-4-[[piperidin-3-ylmethyl(propan-2-yl)amino]methyl]phenol is sourced from PubChem (CID 106624038), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).