5-[(4-amino-3,3-dimethylpiperidin-1-yl)methyl]-2-methoxyphenol

C15H24N2O2 — CID 120781423

IUPAC5-[(4-amino-3,3-dimethylpiperidin-1-yl)methyl]-2-methoxyphenol
SMILESCOc1ccc(CN2CCC(N)C(C)(C)C2)cc1O
InChIInChI=1S/C15H24N2O2/c1-15(2)10-17(7-6-14(15)16)9-11-4-5-13(19-3)12(18)8-11/h4-5,8,14,18H,6-7,9-10,16H2,1-3H3
InChIKeyYNZAHNQSIUQFPF-UHFFFAOYSA-N
MW264.37 g/mol
LogP1.96
Rot. Bonds3

About 5-[(4-amino-3,3-dimethylpiperidin-1-yl)methyl]-2-methoxyphenol

5-[(4-amino-3,3-dimethylpiperidin-1-yl)methyl]-2-methoxyphenol (PubChem CID 120781423) has the molecular formula C15H24N2O2 and a molecular weight of 264.37 g/mol. Its IUPAC name is 5-[(4-amino-3,3-dimethylpiperidin-1-yl)methyl]-2-methoxyphenol.

Molecular Properties

Compound Name5-[(4-amino-3,3-dimethylpiperidin-1-yl)methyl]-2-methoxyphenol
PubChem CID120781423
Molecular FormulaC15H24N2O2
Molecular Weight264.37 g/mol
Exact Mass264.18
IUPAC Name5-[(4-amino-3,3-dimethylpiperidin-1-yl)methyl]-2-methoxyphenol
SMILESCOc1ccc(CN2CCC(N)C(C)(C)C2)cc1O
InChIInChI=1S/C15H24N2O2/c1-15(2)10-17(7-6-14(15)16)9-11-4-5-13(19-3)12(18)8-11/h4-5,8,14,18H,6-7,9-10,16H2,1-3H3
InChIKeyYNZAHNQSIUQFPF-UHFFFAOYSA-N
XLogP1.96
TPSA58.72 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.37
LogP ≤ 51.96
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

5-[(4-amino-3,3-dimethylpiperidin-1-yl)methyl]-2-methoxyphenol;hydrochloride
CID 120781422
1-[(3,5-dimethoxyphenyl)methyl]-3,3-dimethylpiperidin-4-amine
CID 120781581
1-[[4-methoxy-3-[(4-nitrophenyl)methoxy]phenyl]methyl]-3,3-dimethylpiperidin-4-amine;hydrochloride
CID 120781865
1-[(3,4-dichlorophenyl)methyl]-3,3-dimethylpiperidin-4-amine
CID 120775322
2-methoxy-5-[(2,2,6,6-tetramethylmorpholin-4-yl)methyl]phenol
CID 102746757
1-[(3-ethoxy-4-propoxyphenyl)methyl]-3,3-dimethylpiperidin-4-amine;hydrochloride
CID 120781441
5-[(4,4-dimethylazepan-1-yl)methyl]-2-methoxyphenol
CID 82981011
3,3-dimethyl-1-[(2,3,4-trimethoxyphenyl)methyl]piperidin-4-amine;hydrochloride
CID 120781991
1-[(4,5-dimethoxy-2-methylphenyl)methyl]-3,3-dimethylpiperidin-4-amine
CID 120781623
1-[(4-methoxy-3,5-dimethylphenyl)methyl]-3,3-dimethylpiperidin-4-amine;hydrochloride
CID 120781390
5-(3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-ylmethyl)-2-methoxyphenol
CID 82982928
1-[(3-fluoro-4-methylphenyl)methyl]-3,3-dimethylpiperidin-4-amine;hydrochloride
CID 120782066

Frequently Asked Questions

What is the IUPAC name of 5-[(4-amino-3,3-dimethylpiperidin-1-yl)methyl]-2-methoxyphenol?
The IUPAC name of 5-[(4-amino-3,3-dimethylpiperidin-1-yl)methyl]-2-methoxyphenol (CID 120781423) is 5-[(4-amino-3,3-dimethylpiperidin-1-yl)methyl]-2-methoxyphenol.
What is the SMILES notation for 5-[(4-amino-3,3-dimethylpiperidin-1-yl)methyl]-2-methoxyphenol?
The canonical SMILES for 5-[(4-amino-3,3-dimethylpiperidin-1-yl)methyl]-2-methoxyphenol is COc1ccc(CN2CCC(N)C(C)(C)C2)cc1O.
What is the InChIKey of 5-[(4-amino-3,3-dimethylpiperidin-1-yl)methyl]-2-methoxyphenol?
The InChIKey is YNZAHNQSIUQFPF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24N2O2/c1-15(2)10-17(7-6-14(15)16)9-11-4-5-13(19-3)12(18)8-11/h4-5,8,14,18H,6-7,9-10,16H2,1-3H3.
What are the key properties of 5-[(4-amino-3,3-dimethylpiperidin-1-yl)methyl]-2-methoxyphenol?
5-[(4-amino-3,3-dimethylpiperidin-1-yl)methyl]-2-methoxyphenol has a molecular weight of 264.37 g/mol, XLogP of 1.96, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(4-amino-3,3-dimethylpiperidin-1-yl)methyl]-2-methoxyphenol is sourced from PubChem (CID 120781423), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).