5-[(1,2-dimethylpiperidin-4-yl)amino]-2-methylphenol

C14H22N2O — CID 107700642

IUPAC5-[(1,2-dimethylpiperidin-4-yl)amino]-2-methylphenol
SMILESCc1ccc(NC2CCN(C)C(C)C2)cc1O
InChIInChI=1S/C14H22N2O/c1-10-4-5-12(9-14(10)17)15-13-6-7-16(3)11(2)8-13/h4-5,9,11,13,15,17H,6-8H2,1-3H3
InChIKeyYFLJDALENUHQSN-UHFFFAOYSA-N
MW234.34 g/mol
LogP2.60
Rot. Bonds2

About 5-[(1,2-dimethylpiperidin-4-yl)amino]-2-methylphenol

5-[(1,2-dimethylpiperidin-4-yl)amino]-2-methylphenol (PubChem CID 107700642) has the molecular formula C14H22N2O and a molecular weight of 234.34 g/mol. Its IUPAC name is 5-[(1,2-dimethylpiperidin-4-yl)amino]-2-methylphenol.

Molecular Properties

Compound Name5-[(1,2-dimethylpiperidin-4-yl)amino]-2-methylphenol
PubChem CID107700642
Molecular FormulaC14H22N2O
Molecular Weight234.34 g/mol
Exact Mass234.17
IUPAC Name5-[(1,2-dimethylpiperidin-4-yl)amino]-2-methylphenol
SMILESCc1ccc(NC2CCN(C)C(C)C2)cc1O
InChIInChI=1S/C14H22N2O/c1-10-4-5-12(9-14(10)17)15-13-6-7-16(3)11(2)8-13/h4-5,9,11,13,15,17H,6-8H2,1-3H3
InChIKeyYFLJDALENUHQSN-UHFFFAOYSA-N
XLogP2.60
TPSA35.50 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.34
LogP ≤ 52.60
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

4-(3-hydroxy-4-methylanilino)piperidine-1-carboxamide
CID 107700221
4-[(1,2-dimethylpiperidin-4-yl)amino]-2-fluorobenzenecarbothioamide
CID 115368512
2-methyl-5-[[1-(3-methylbut-2-enyl)piperidin-4-yl]amino]phenol
CID 107700226
5-[(4-aminocyclohexyl)amino]-2-methylphenol
CID 107700897
1,2-dimethyl-N-(4-nitrophenyl)piperidin-4-amine
CID 79033555
4-N-(1,2-dimethylpiperidin-4-yl)-2-propan-2-yloxybenzene-1,4-diamine
CID 83002828
N-(3-bromo-4-methylphenyl)-1-methylpyrrolidin-3-amine
CID 63333499
2-methyl-5-[[3-(2-methylpropyl)cyclohexyl]amino]phenol
CID 107700309
tert-butyl 3-(3-hydroxy-4-methylanilino)pyrrolidine-1-carboxylate
CID 107700672
N-(1,2-dimethylpiperidin-4-yl)-6-methylpyrimidin-4-amine
CID 79033350
4-chloro-2-[[(1,2-dimethylpiperidin-4-yl)amino]methyl]phenol
CID 79032255
2-bromo-N-(1,2-dimethylpiperidin-4-yl)-5-methylbenzamide
CID 81001993

Frequently Asked Questions

What is the IUPAC name of 5-[(1,2-dimethylpiperidin-4-yl)amino]-2-methylphenol?
The IUPAC name of 5-[(1,2-dimethylpiperidin-4-yl)amino]-2-methylphenol (CID 107700642) is 5-[(1,2-dimethylpiperidin-4-yl)amino]-2-methylphenol.
What is the SMILES notation for 5-[(1,2-dimethylpiperidin-4-yl)amino]-2-methylphenol?
The canonical SMILES for 5-[(1,2-dimethylpiperidin-4-yl)amino]-2-methylphenol is Cc1ccc(NC2CCN(C)C(C)C2)cc1O.
What is the InChIKey of 5-[(1,2-dimethylpiperidin-4-yl)amino]-2-methylphenol?
The InChIKey is YFLJDALENUHQSN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N2O/c1-10-4-5-12(9-14(10)17)15-13-6-7-16(3)11(2)8-13/h4-5,9,11,13,15,17H,6-8H2,1-3H3.
What are the key properties of 5-[(1,2-dimethylpiperidin-4-yl)amino]-2-methylphenol?
5-[(1,2-dimethylpiperidin-4-yl)amino]-2-methylphenol has a molecular weight of 234.34 g/mol, XLogP of 2.60, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(1,2-dimethylpiperidin-4-yl)amino]-2-methylphenol is sourced from PubChem (CID 107700642), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).