2,5-dimethyl-4-[(1,2,5-trimethylpiperidin-4-yl)amino]phenol

C16H26N2O — CID 106953917

IUPAC2,5-dimethyl-4-[(1,2,5-trimethylpiperidin-4-yl)amino]phenol
SMILESCc1cc(NC2CC(C)N(C)CC2C)c(C)cc1O
InChIInChI=1S/C16H26N2O/c1-10-7-16(19)11(2)6-14(10)17-15-8-13(4)18(5)9-12(15)3/h6-7,12-13,15,17,19H,8-9H2,1-5H3
InChIKeyPGESZFPLHANIAU-UHFFFAOYSA-N
MW262.40 g/mol
LogP3.15
Rot. Bonds2

About 2,5-dimethyl-4-[(1,2,5-trimethylpiperidin-4-yl)amino]phenol

2,5-dimethyl-4-[(1,2,5-trimethylpiperidin-4-yl)amino]phenol (PubChem CID 106953917) has the molecular formula C16H26N2O and a molecular weight of 262.40 g/mol. Its IUPAC name is 2,5-dimethyl-4-[(1,2,5-trimethylpiperidin-4-yl)amino]phenol.

Molecular Properties

Compound Name2,5-dimethyl-4-[(1,2,5-trimethylpiperidin-4-yl)amino]phenol
PubChem CID106953917
Molecular FormulaC16H26N2O
Molecular Weight262.40 g/mol
Exact Mass262.20
IUPAC Name2,5-dimethyl-4-[(1,2,5-trimethylpiperidin-4-yl)amino]phenol
SMILESCc1cc(NC2CC(C)N(C)CC2C)c(C)cc1O
InChIInChI=1S/C16H26N2O/c1-10-7-16(19)11(2)6-14(10)17-15-8-13(4)18(5)9-12(15)3/h6-7,12-13,15,17,19H,8-9H2,1-5H3
InChIKeyPGESZFPLHANIAU-UHFFFAOYSA-N
XLogP3.15
TPSA35.50 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.40
LogP ≤ 53.15
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydroquinone', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2,5-dimethyl-4-[(1,2,5-trimethylpiperidin-4-yl)amino]phenol?
The IUPAC name of 2,5-dimethyl-4-[(1,2,5-trimethylpiperidin-4-yl)amino]phenol (CID 106953917) is 2,5-dimethyl-4-[(1,2,5-trimethylpiperidin-4-yl)amino]phenol.
What is the SMILES notation for 2,5-dimethyl-4-[(1,2,5-trimethylpiperidin-4-yl)amino]phenol?
The canonical SMILES for 2,5-dimethyl-4-[(1,2,5-trimethylpiperidin-4-yl)amino]phenol is Cc1cc(NC2CC(C)N(C)CC2C)c(C)cc1O.
What is the InChIKey of 2,5-dimethyl-4-[(1,2,5-trimethylpiperidin-4-yl)amino]phenol?
The InChIKey is PGESZFPLHANIAU-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26N2O/c1-10-7-16(19)11(2)6-14(10)17-15-8-13(4)18(5)9-12(15)3/h6-7,12-13,15,17,19H,8-9H2,1-5H3.
What are the key properties of 2,5-dimethyl-4-[(1,2,5-trimethylpiperidin-4-yl)amino]phenol?
2,5-dimethyl-4-[(1,2,5-trimethylpiperidin-4-yl)amino]phenol has a molecular weight of 262.40 g/mol, XLogP of 3.15, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,5-dimethyl-4-[(1,2,5-trimethylpiperidin-4-yl)amino]phenol is sourced from PubChem (CID 106953917), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).