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

C16H26N2O2 — CID 104582308

IUPAC2-[1-[(1,3-dimethylpiperidin-4-yl)amino]ethyl]-5-methoxyphenol
SMILESCOc1ccc(C(C)NC2CCN(C)CC2C)c(O)c1
InChIInChI=1S/C16H26N2O2/c1-11-10-18(3)8-7-15(11)17-12(2)14-6-5-13(20-4)9-16(14)19/h5-6,9,11-12,15,17,19H,7-8,10H2,1-4H3
InChIKeyOGPUGLJOOIFGET-UHFFFAOYSA-N
MW278.40 g/mol
LogP2.39
Rot. Bonds4

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

2-[1-[(1,3-dimethylpiperidin-4-yl)amino]ethyl]-5-methoxyphenol (PubChem CID 104582308) has the molecular formula C16H26N2O2 and a molecular weight of 278.40 g/mol. Its IUPAC name is 2-[1-[(1,3-dimethylpiperidin-4-yl)amino]ethyl]-5-methoxyphenol.

Molecular Properties

Compound Name2-[1-[(1,3-dimethylpiperidin-4-yl)amino]ethyl]-5-methoxyphenol
PubChem CID104582308
Molecular FormulaC16H26N2O2
Molecular Weight278.40 g/mol
Exact Mass278.20
IUPAC Name2-[1-[(1,3-dimethylpiperidin-4-yl)amino]ethyl]-5-methoxyphenol
SMILESCOc1ccc(C(C)NC2CCN(C)CC2C)c(O)c1
InChIInChI=1S/C16H26N2O2/c1-11-10-18(3)8-7-15(11)17-12(2)14-6-5-13(20-4)9-16(14)19/h5-6,9,11-12,15,17,19H,7-8,10H2,1-4H3
InChIKeyOGPUGLJOOIFGET-UHFFFAOYSA-N
XLogP2.39
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 ≤ 52.39
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-[(1,3-dimethylpiperidin-4-yl)amino]ethyl]-4-methoxyphenol
CID 104582309
5-[1-[(1,3-dimethylpiperidin-4-yl)amino]ethyl]benzene-1,3-diol
CID 107707305
2-[1-[(2-hydroxycyclohexyl)amino]ethyl]-5-methoxyphenol
CID 55064076
2-[1-[(1,3-dimethylpiperidin-4-yl)amino]ethyl]benzene-1,3-diol
CID 107711309
N-[1-(2,4-dibromophenyl)ethyl]-1,3-dimethylpiperidin-4-amine
CID 115717601
5-methoxy-2-[1-[(1-propan-2-ylpiperidin-4-yl)amino]ethyl]phenol
CID 43206678
2-[1-(cycloheptylamino)ethyl]-5-methoxyphenol
CID 43202473
N-[1-(2,5-dichlorophenyl)ethyl]-1,3-dimethylpiperidin-4-amine
CID 115714676
N-[1-(3,4-difluorophenyl)ethyl]-1,3-dimethylpiperidin-4-amine
CID 115649937
(3R,4R)-1,3-dimethyl-N-[(1S)-1-phenylethyl]piperidin-4-amine
CID 11172331
N-[1-(4-methoxyphenyl)propyl]-1,3-dimethylpiperidin-4-amine
CID 115707061
2-[1-[(2,6-dimethylpiperidin-1-yl)amino]ethyl]-5-methoxyphenol
CID 83007109

Frequently Asked Questions

What is the IUPAC name of 2-[1-[(1,3-dimethylpiperidin-4-yl)amino]ethyl]-5-methoxyphenol?
The IUPAC name of 2-[1-[(1,3-dimethylpiperidin-4-yl)amino]ethyl]-5-methoxyphenol (CID 104582308) is 2-[1-[(1,3-dimethylpiperidin-4-yl)amino]ethyl]-5-methoxyphenol.
What is the SMILES notation for 2-[1-[(1,3-dimethylpiperidin-4-yl)amino]ethyl]-5-methoxyphenol?
The canonical SMILES for 2-[1-[(1,3-dimethylpiperidin-4-yl)amino]ethyl]-5-methoxyphenol is COc1ccc(C(C)NC2CCN(C)CC2C)c(O)c1.
What is the InChIKey of 2-[1-[(1,3-dimethylpiperidin-4-yl)amino]ethyl]-5-methoxyphenol?
The InChIKey is OGPUGLJOOIFGET-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26N2O2/c1-11-10-18(3)8-7-15(11)17-12(2)14-6-5-13(20-4)9-16(14)19/h5-6,9,11-12,15,17,19H,7-8,10H2,1-4H3.
What are the key properties of 2-[1-[(1,3-dimethylpiperidin-4-yl)amino]ethyl]-5-methoxyphenol?
2-[1-[(1,3-dimethylpiperidin-4-yl)amino]ethyl]-5-methoxyphenol has a molecular weight of 278.40 g/mol, XLogP of 2.39, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-[(1,3-dimethylpiperidin-4-yl)amino]ethyl]-5-methoxyphenol is sourced from PubChem (CID 104582308), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).