2-[1-[(2,6-dimethylpiperidin-1-yl)amino]ethyl]-5-methoxyphenol

C16H26N2O2 — CID 83007109

IUPAC2-[1-[(2,6-dimethylpiperidin-1-yl)amino]ethyl]-5-methoxyphenol
SMILESCOc1ccc(C(C)NN2C(C)CCCC2C)c(O)c1
InChIInChI=1S/C16H26N2O2/c1-11-6-5-7-12(2)18(11)17-13(3)15-9-8-14(20-4)10-16(15)19/h8-13,17,19H,5-7H2,1-4H3
InChIKeyDTOZBNNTBIRFGA-UHFFFAOYSA-N
MW278.40 g/mol
LogP3.23
Rot. Bonds4

About 2-[1-[(2,6-dimethylpiperidin-1-yl)amino]ethyl]-5-methoxyphenol

2-[1-[(2,6-dimethylpiperidin-1-yl)amino]ethyl]-5-methoxyphenol (PubChem CID 83007109) has the molecular formula C16H26N2O2 and a molecular weight of 278.40 g/mol. Its IUPAC name is 2-[1-[(2,6-dimethylpiperidin-1-yl)amino]ethyl]-5-methoxyphenol.

Molecular Properties

Compound Name2-[1-[(2,6-dimethylpiperidin-1-yl)amino]ethyl]-5-methoxyphenol
PubChem CID83007109
Molecular FormulaC16H26N2O2
Molecular Weight278.40 g/mol
Exact Mass278.20
IUPAC Name2-[1-[(2,6-dimethylpiperidin-1-yl)amino]ethyl]-5-methoxyphenol
SMILESCOc1ccc(C(C)NN2C(C)CCCC2C)c(O)c1
InChIInChI=1S/C16H26N2O2/c1-11-6-5-7-12(2)18(11)17-13(3)15-9-8-14(20-4)10-16(15)19/h8-13,17,19H,5-7H2,1-4H3
InChIKeyDTOZBNNTBIRFGA-UHFFFAOYSA-N
XLogP3.23
TPSA44.73 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.40
LogP ≤ 53.23
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

2-[1-[(2,6-dimethylpiperidin-1-yl)amino]ethyl]phenol
CID 83006350
2-[1-[(2-hydroxycyclohexyl)amino]ethyl]-5-methoxyphenol
CID 55064076
2-[1-(cycloheptylamino)ethyl]-5-methoxyphenol
CID 43202473
2-[[(2,6-dimethylpiperidin-1-yl)amino]methyl]-4-methoxyphenol
CID 83007608
2-[1-[(2-hydroxycyclohexyl)methylamino]ethyl]-5-methoxyphenol
CID 64928670
5-methoxy-2-[1-[(1-propan-2-ylpiperidin-4-yl)amino]ethyl]phenol
CID 43206678
5-methoxy-2-[1-[(3-methoxycyclopentyl)amino]ethyl]phenol
CID 103082952
2-[1-(2,3,4,4a,5,6,7,7a-octahydrocyclopenta[b]pyridin-1-yl)ethyl]-5-methoxyphenol
CID 82980642
2-[1-[(1,3-dimethylpiperidin-4-yl)amino]ethyl]-5-methoxyphenol
CID 104582308
5-methoxy-2-[1-(3,4,5-trimethylpiperazin-1-yl)ethyl]phenol
CID 114541116
N-(2,6-dimethylpiperidin-1-yl)-2-hydroxy-5-methoxybenzamide
CID 115279910
5-methoxy-2-[1-[(2,2,3,3-tetramethylcyclopropyl)amino]ethyl]phenol
CID 79357914

Frequently Asked Questions

What is the IUPAC name of 2-[1-[(2,6-dimethylpiperidin-1-yl)amino]ethyl]-5-methoxyphenol?
The IUPAC name of 2-[1-[(2,6-dimethylpiperidin-1-yl)amino]ethyl]-5-methoxyphenol (CID 83007109) is 2-[1-[(2,6-dimethylpiperidin-1-yl)amino]ethyl]-5-methoxyphenol.
What is the SMILES notation for 2-[1-[(2,6-dimethylpiperidin-1-yl)amino]ethyl]-5-methoxyphenol?
The canonical SMILES for 2-[1-[(2,6-dimethylpiperidin-1-yl)amino]ethyl]-5-methoxyphenol is COc1ccc(C(C)NN2C(C)CCCC2C)c(O)c1.
What is the InChIKey of 2-[1-[(2,6-dimethylpiperidin-1-yl)amino]ethyl]-5-methoxyphenol?
The InChIKey is DTOZBNNTBIRFGA-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26N2O2/c1-11-6-5-7-12(2)18(11)17-13(3)15-9-8-14(20-4)10-16(15)19/h8-13,17,19H,5-7H2,1-4H3.
What are the key properties of 2-[1-[(2,6-dimethylpiperidin-1-yl)amino]ethyl]-5-methoxyphenol?
2-[1-[(2,6-dimethylpiperidin-1-yl)amino]ethyl]-5-methoxyphenol has a molecular weight of 278.40 g/mol, XLogP of 3.23, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-[(2,6-dimethylpiperidin-1-yl)amino]ethyl]-5-methoxyphenol is sourced from PubChem (CID 83007109), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).