2,6-dimethyl-3-[1-(1-methylpiperidin-3-yl)ethylamino]phenol

C16H26N2O — CID 43741661

IUPAC2,6-dimethyl-3-[1-(1-methylpiperidin-3-yl)ethylamino]phenol
SMILESCc1ccc(NC(C)C2CCCN(C)C2)c(C)c1O
InChIInChI=1S/C16H26N2O/c1-11-7-8-15(12(2)16(11)19)17-13(3)14-6-5-9-18(4)10-14/h7-8,13-14,17,19H,5-6,9-10H2,1-4H3
InChIKeyKKCRALRFFHFEEQ-UHFFFAOYSA-N
MW262.40 g/mol
LogP3.15
Rot. Bonds3

About 2,6-dimethyl-3-[1-(1-methylpiperidin-3-yl)ethylamino]phenol

2,6-dimethyl-3-[1-(1-methylpiperidin-3-yl)ethylamino]phenol (PubChem CID 43741661) has the molecular formula C16H26N2O and a molecular weight of 262.40 g/mol. Its IUPAC name is 2,6-dimethyl-3-[1-(1-methylpiperidin-3-yl)ethylamino]phenol.

Molecular Properties

Compound Name2,6-dimethyl-3-[1-(1-methylpiperidin-3-yl)ethylamino]phenol
PubChem CID43741661
Molecular FormulaC16H26N2O
Molecular Weight262.40 g/mol
Exact Mass262.20
IUPAC Name2,6-dimethyl-3-[1-(1-methylpiperidin-3-yl)ethylamino]phenol
SMILESCc1ccc(NC(C)C2CCCN(C)C2)c(C)c1O
InChIInChI=1S/C16H26N2O/c1-11-7-8-15(12(2)16(11)19)17-13(3)14-6-5-9-18(4)10-14/h7-8,13-14,17,19H,5-6,9-10H2,1-4H3
InChIKeyKKCRALRFFHFEEQ-UHFFFAOYSA-N
XLogP3.15
TPSA35.50 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
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

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Related Compounds

3-iodo-2-methyl-N-[1-(1-methylpiperidin-3-yl)ethyl]aniline
CID 113368981
2,6-dimethyl-3-[(1-methylazepan-4-yl)amino]phenol
CID 65070779
2-methyl-N-[1-(1-methylpiperidin-3-yl)ethyl]-5-nitroaniline
CID 43718443
2-chloro-4-fluoro-N-[1-(1-methylpiperidin-3-yl)ethyl]aniline
CID 43308733
N-[1-(1-methylpiperidin-3-yl)ethyl]-5,6,7,8-tetrahydronaphthalen-1-amine
CID 43307588
2-bromo-4-chloro-N-[1-(1-methylpiperidin-3-yl)ethyl]aniline
CID 81263405
3-(dicyclopropylmethylamino)-2,6-dimethylphenol
CID 43741846
2-[1-(1-methylpiperidin-3-yl)ethylamino]benzonitrile
CID 43307860
methyl 2-[1-(1-methylpiperidin-3-yl)ethylamino]benzoate
CID 43308775
4-iodo-N-[1-(1-methylpiperidin-3-yl)ethyl]aniline
CID 43308680
2-fluoro-4-[1-(1-methylpiperidin-3-yl)ethylamino]phenol
CID 64795007
2-[(dimethylamino)methyl]-N-[1-(1-methylpiperidin-3-yl)ethyl]aniline
CID 43750067

Frequently Asked Questions

What is the IUPAC name of 2,6-dimethyl-3-[1-(1-methylpiperidin-3-yl)ethylamino]phenol?
The IUPAC name of 2,6-dimethyl-3-[1-(1-methylpiperidin-3-yl)ethylamino]phenol (CID 43741661) is 2,6-dimethyl-3-[1-(1-methylpiperidin-3-yl)ethylamino]phenol.
What is the SMILES notation for 2,6-dimethyl-3-[1-(1-methylpiperidin-3-yl)ethylamino]phenol?
The canonical SMILES for 2,6-dimethyl-3-[1-(1-methylpiperidin-3-yl)ethylamino]phenol is Cc1ccc(NC(C)C2CCCN(C)C2)c(C)c1O.
What is the InChIKey of 2,6-dimethyl-3-[1-(1-methylpiperidin-3-yl)ethylamino]phenol?
The InChIKey is KKCRALRFFHFEEQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26N2O/c1-11-7-8-15(12(2)16(11)19)17-13(3)14-6-5-9-18(4)10-14/h7-8,13-14,17,19H,5-6,9-10H2,1-4H3.
What are the key properties of 2,6-dimethyl-3-[1-(1-methylpiperidin-3-yl)ethylamino]phenol?
2,6-dimethyl-3-[1-(1-methylpiperidin-3-yl)ethylamino]phenol has a molecular weight of 262.40 g/mol, XLogP of 3.15, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,6-dimethyl-3-[1-(1-methylpiperidin-3-yl)ethylamino]phenol is sourced from PubChem (CID 43741661), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).