2-[[1-(2,4,6-trimethylphenyl)piperidin-3-yl]amino]ethanol

C16H26N2O — CID 117004961

IUPAC2-[[1-(2,4,6-trimethylphenyl)piperidin-3-yl]amino]ethanol
SMILESCc1cc(C)c(N2CCCC(NCCO)C2)c(C)c1
InChIInChI=1S/C16H26N2O/c1-12-9-13(2)16(14(3)10-12)18-7-4-5-15(11-18)17-6-8-19/h9-10,15,17,19H,4-8,11H2,1-3H3
InChIKeyKOFOXUSDWKSDRF-UHFFFAOYSA-N
MW262.40 g/mol
LogP2.16
Rot. Bonds4

About 2-[[1-(2,4,6-trimethylphenyl)piperidin-3-yl]amino]ethanol

2-[[1-(2,4,6-trimethylphenyl)piperidin-3-yl]amino]ethanol (PubChem CID 117004961) has the molecular formula C16H26N2O and a molecular weight of 262.40 g/mol. Its IUPAC name is 2-[[1-(2,4,6-trimethylphenyl)piperidin-3-yl]amino]ethanol.

Molecular Properties

Compound Name2-[[1-(2,4,6-trimethylphenyl)piperidin-3-yl]amino]ethanol
PubChem CID117004961
Molecular FormulaC16H26N2O
Molecular Weight262.40 g/mol
Exact Mass262.20
IUPAC Name2-[[1-(2,4,6-trimethylphenyl)piperidin-3-yl]amino]ethanol
SMILESCc1cc(C)c(N2CCCC(NCCO)C2)c(C)c1
InChIInChI=1S/C16H26N2O/c1-12-9-13(2)16(14(3)10-12)18-7-4-5-15(11-18)17-6-8-19/h9-10,15,17,19H,4-8,11H2,1-3H3
InChIKeyKOFOXUSDWKSDRF-UHFFFAOYSA-N
XLogP2.16
TPSA35.50 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.40
LogP ≤ 52.16
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-[[1-(2-methylphenyl)piperidin-3-yl]amino]ethanol
CID 117004950
2-[[1-(2-bromo-4-methylphenyl)piperidin-3-yl]amino]ethanol
CID 117004977
2-[1-(2-chloro-4,6-dimethylphenyl)piperidin-3-yl]ethanol
CID 117026004
N-propyl-1-(2,3,5,6-tetrafluorophenyl)piperidin-3-amine
CID 107646128
2-[[1-(3,5-dimethylphenyl)piperidin-3-yl]amino]acetonitrile
CID 117004784
1-(5-methyl-3-pyridinyl)-N-propylpiperidin-3-amine
CID 107586869
1-(2-chloro-6-methylphenyl)-N-ethylpiperidin-3-amine
CID 66251825
1-(3,4-dimethylphenyl)-N-(2,2-dimethylpropyl)piperidin-3-amine
CID 83995173
1-(2-methylpyrazolo[1,5-a]pyrazin-4-yl)-N-propylpiperidin-3-amine
CID 104729270
1-(5-bromo-4-fluoro-2-methylphenyl)-N-propylpiperidin-3-amine
CID 107594230
1-[1-(2-fluoro-5-methylphenyl)piperidin-3-yl]-3-(2-hydroxyethyl)urea
CID 111424850
2-[[(3S)-1-[[4-(cyclopropylmethoxy)-3-methylnaphthalen-1-yl]methyl]piperidin-3-yl]amino]ethanol
CID 178016876

Frequently Asked Questions

What is the IUPAC name of 2-[[1-(2,4,6-trimethylphenyl)piperidin-3-yl]amino]ethanol?
The IUPAC name of 2-[[1-(2,4,6-trimethylphenyl)piperidin-3-yl]amino]ethanol (CID 117004961) is 2-[[1-(2,4,6-trimethylphenyl)piperidin-3-yl]amino]ethanol.
What is the SMILES notation for 2-[[1-(2,4,6-trimethylphenyl)piperidin-3-yl]amino]ethanol?
The canonical SMILES for 2-[[1-(2,4,6-trimethylphenyl)piperidin-3-yl]amino]ethanol is Cc1cc(C)c(N2CCCC(NCCO)C2)c(C)c1.
What is the InChIKey of 2-[[1-(2,4,6-trimethylphenyl)piperidin-3-yl]amino]ethanol?
The InChIKey is KOFOXUSDWKSDRF-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26N2O/c1-12-9-13(2)16(14(3)10-12)18-7-4-5-15(11-18)17-6-8-19/h9-10,15,17,19H,4-8,11H2,1-3H3.
What are the key properties of 2-[[1-(2,4,6-trimethylphenyl)piperidin-3-yl]amino]ethanol?
2-[[1-(2,4,6-trimethylphenyl)piperidin-3-yl]amino]ethanol has a molecular weight of 262.40 g/mol, XLogP of 2.16, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[1-(2,4,6-trimethylphenyl)piperidin-3-yl]amino]ethanol is sourced from PubChem (CID 117004961), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).