5-methyl-2-[methyl-(1-methylpiperidin-4-yl)amino]phenol

C14H22N2O — CID 169123079

IUPAC5-methyl-2-[methyl-(1-methylpiperidin-4-yl)amino]phenol
SMILESCc1ccc(N(C)C2CCN(C)CC2)c(O)c1
InChIInChI=1S/C14H22N2O/c1-11-4-5-13(14(17)10-11)16(3)12-6-8-15(2)9-7-12/h4-5,10,12,17H,6-9H2,1-3H3
InChIKeyDSENYMKMTBPCKQ-UHFFFAOYSA-N
MW234.34 g/mol
LogP2.23
Rot. Bonds2

About 5-methyl-2-[methyl-(1-methylpiperidin-4-yl)amino]phenol

5-methyl-2-[methyl-(1-methylpiperidin-4-yl)amino]phenol (PubChem CID 169123079) has the molecular formula C14H22N2O and a molecular weight of 234.34 g/mol. Its IUPAC name is 5-methyl-2-[methyl-(1-methylpiperidin-4-yl)amino]phenol.

Molecular Properties

Compound Name5-methyl-2-[methyl-(1-methylpiperidin-4-yl)amino]phenol
PubChem CID169123079
Molecular FormulaC14H22N2O
Molecular Weight234.34 g/mol
Exact Mass234.17
IUPAC Name5-methyl-2-[methyl-(1-methylpiperidin-4-yl)amino]phenol
SMILESCc1ccc(N(C)C2CCN(C)CC2)c(O)c1
InChIInChI=1S/C14H22N2O/c1-11-4-5-13(14(17)10-11)16(3)12-6-8-15(2)9-7-12/h4-5,10,12,17H,6-9H2,1-3H3
InChIKeyDSENYMKMTBPCKQ-UHFFFAOYSA-N
XLogP2.23
TPSA26.71 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.34
LogP ≤ 52.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-methyl-2-[methyl-(1-methylpiperidin-4-yl)amino]benzenecarboximidamide
CID 62306905
4-methyl-2-[1-[methyl-[(1-methylpiperidin-4-yl)methyl]amino]ethyl]phenol
CID 82980214
[5-chloro-2-[methyl-(1-methylpiperidin-4-yl)amino]phenyl]methanol
CID 114845156
2-[cyclopropyl(methyl)amino]-4-methylbenzoic acid
CID 62702673
3-bromo-4-[methyl-(1-methylpiperidin-4-yl)amino]benzenecarbothioamide
CID 82804612
N-(2-fluoro-4-methoxyphenyl)-N,1-dimethylpiperidin-4-amine
CID 110454587
1-N-(1-ethylpiperidin-4-yl)-1-N,4-dimethylbenzene-1,2-diamine
CID 55004013
2-[1-[4-(dimethylamino)piperidin-1-yl]ethyl]-5-methylphenol
CID 82977653
N-(2-chlorophenyl)-N,1-dimethylpiperidin-4-amine
CID 110454576
5-methyl-2-[methyl-(1-methylpiperidin-3-yl)amino]benzenecarbothioamide
CID 107928908
4-chloro-2-[methyl-(1-methylpiperidin-4-yl)amino]benzoic acid
CID 55181948
N-[2-(chloromethyl)-4-fluorophenyl]-N,1-dimethylpiperidin-4-amine
CID 43313518

Frequently Asked Questions

What is the IUPAC name of 5-methyl-2-[methyl-(1-methylpiperidin-4-yl)amino]phenol?
The IUPAC name of 5-methyl-2-[methyl-(1-methylpiperidin-4-yl)amino]phenol (CID 169123079) is 5-methyl-2-[methyl-(1-methylpiperidin-4-yl)amino]phenol.
What is the SMILES notation for 5-methyl-2-[methyl-(1-methylpiperidin-4-yl)amino]phenol?
The canonical SMILES for 5-methyl-2-[methyl-(1-methylpiperidin-4-yl)amino]phenol is Cc1ccc(N(C)C2CCN(C)CC2)c(O)c1.
What is the InChIKey of 5-methyl-2-[methyl-(1-methylpiperidin-4-yl)amino]phenol?
The InChIKey is DSENYMKMTBPCKQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N2O/c1-11-4-5-13(14(17)10-11)16(3)12-6-8-15(2)9-7-12/h4-5,10,12,17H,6-9H2,1-3H3.
What are the key properties of 5-methyl-2-[methyl-(1-methylpiperidin-4-yl)amino]phenol?
5-methyl-2-[methyl-(1-methylpiperidin-4-yl)amino]phenol has a molecular weight of 234.34 g/mol, XLogP of 2.23, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-2-[methyl-(1-methylpiperidin-4-yl)amino]phenol is sourced from PubChem (CID 169123079), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).