2-[[(1-tert-butylpiperidin-4-yl)amino]methyl]-6-methylphenol

C17H28N2O — CID 115904880

IUPAC2-[[(1-tert-butylpiperidin-4-yl)amino]methyl]-6-methylphenol
SMILESCc1cccc(CNC2CCN(C(C)(C)C)CC2)c1O
InChIInChI=1S/C17H28N2O/c1-13-6-5-7-14(16(13)20)12-18-15-8-10-19(11-9-15)17(2,3)4/h5-7,15,18,20H,8-12H2,1-4H3
InChIKeyYOPGZOUKZKRAQJ-UHFFFAOYSA-N
MW276.42 g/mol
LogP3.05
Rot. Bonds3

About 2-[[(1-tert-butylpiperidin-4-yl)amino]methyl]-6-methylphenol

2-[[(1-tert-butylpiperidin-4-yl)amino]methyl]-6-methylphenol (PubChem CID 115904880) has the molecular formula C17H28N2O and a molecular weight of 276.42 g/mol. Its IUPAC name is 2-[[(1-tert-butylpiperidin-4-yl)amino]methyl]-6-methylphenol.

Molecular Properties

Compound Name2-[[(1-tert-butylpiperidin-4-yl)amino]methyl]-6-methylphenol
PubChem CID115904880
Molecular FormulaC17H28N2O
Molecular Weight276.42 g/mol
Exact Mass276.22
IUPAC Name2-[[(1-tert-butylpiperidin-4-yl)amino]methyl]-6-methylphenol
SMILESCc1cccc(CNC2CCN(C(C)(C)C)CC2)c1O
InChIInChI=1S/C17H28N2O/c1-13-6-5-7-14(16(13)20)12-18-15-8-10-19(11-9-15)17(2,3)4/h5-7,15,18,20H,8-12H2,1-4H3
InChIKeyYOPGZOUKZKRAQJ-UHFFFAOYSA-N
XLogP3.05
TPSA35.50 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.42
LogP ≤ 53.05
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'mannich_A(296)', 'substructure': 'N/A'}

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Related Compounds

1-tert-butyl-N-[(2-fluorophenyl)methyl]piperidin-4-amine
CID 54866682
2-[(cyclohex-3-en-1-ylamino)methyl]-6-methylphenol
CID 112554896
2-methyl-6-[[(4-methylcycloheptyl)amino]methyl]phenol
CID 102809836
2-methyl-6-[[(3-methylcyclobutyl)amino]methyl]phenol
CID 115908013
2-[[(1-tert-butylpiperidin-4-yl)amino]methyl]-4,6-dichlorophenol
CID 60931668
2-[[[(1R,2R)-2-[(2-hydroxy-3-methylphenyl)methylamino]cyclohexyl]amino]methyl]-6-methylphenol
CID 90329687
1-tert-butyl-N-[(3-chlorophenyl)methyl]piperidin-4-amine
CID 54866694
N-[(2-bromo-3-methylphenyl)methyl]-1-methylpiperidin-4-amine
CID 172648451
1-tert-butyl-N-(1H-pyrrol-2-ylmethyl)piperidin-4-amine
CID 62340584
1-tert-butyl-N-(pyridin-4-ylmethyl)piperidin-4-amine
CID 51085983
1-tert-butyl-N-[(5-chlorofuran-2-yl)methyl]piperidin-4-amine
CID 54866594
2-[[(2,2-diethyloxan-4-yl)amino]methyl]-6-methylphenol
CID 115908814

Frequently Asked Questions

What is the IUPAC name of 2-[[(1-tert-butylpiperidin-4-yl)amino]methyl]-6-methylphenol?
The IUPAC name of 2-[[(1-tert-butylpiperidin-4-yl)amino]methyl]-6-methylphenol (CID 115904880) is 2-[[(1-tert-butylpiperidin-4-yl)amino]methyl]-6-methylphenol.
What is the SMILES notation for 2-[[(1-tert-butylpiperidin-4-yl)amino]methyl]-6-methylphenol?
The canonical SMILES for 2-[[(1-tert-butylpiperidin-4-yl)amino]methyl]-6-methylphenol is Cc1cccc(CNC2CCN(C(C)(C)C)CC2)c1O.
What is the InChIKey of 2-[[(1-tert-butylpiperidin-4-yl)amino]methyl]-6-methylphenol?
The InChIKey is YOPGZOUKZKRAQJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H28N2O/c1-13-6-5-7-14(16(13)20)12-18-15-8-10-19(11-9-15)17(2,3)4/h5-7,15,18,20H,8-12H2,1-4H3.
What are the key properties of 2-[[(1-tert-butylpiperidin-4-yl)amino]methyl]-6-methylphenol?
2-[[(1-tert-butylpiperidin-4-yl)amino]methyl]-6-methylphenol has a molecular weight of 276.42 g/mol, XLogP of 3.05, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[(1-tert-butylpiperidin-4-yl)amino]methyl]-6-methylphenol is sourced from PubChem (CID 115904880), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).