2-[[1-(2-bromo-4-methylphenyl)piperidin-3-yl]amino]ethanol

C14H21BrN2O — CID 117004977

IUPAC2-[[1-(2-bromo-4-methylphenyl)piperidin-3-yl]amino]ethanol
SMILESCc1ccc(N2CCCC(NCCO)C2)c(Br)c1
InChIInChI=1S/C14H21BrN2O/c1-11-4-5-14(13(15)9-11)17-7-2-3-12(10-17)16-6-8-18/h4-5,9,12,16,18H,2-3,6-8,10H2,1H3
InChIKeyTUXSYUKJCOHHEC-UHFFFAOYSA-N
MW313.24 g/mol
LogP2.31
Rot. Bonds4

About 2-[[1-(2-bromo-4-methylphenyl)piperidin-3-yl]amino]ethanol

2-[[1-(2-bromo-4-methylphenyl)piperidin-3-yl]amino]ethanol (PubChem CID 117004977) has the molecular formula C14H21BrN2O and a molecular weight of 313.24 g/mol. Its IUPAC name is 2-[[1-(2-bromo-4-methylphenyl)piperidin-3-yl]amino]ethanol.

Molecular Properties

Compound Name2-[[1-(2-bromo-4-methylphenyl)piperidin-3-yl]amino]ethanol
PubChem CID117004977
Molecular FormulaC14H21BrN2O
Molecular Weight313.24 g/mol
Exact Mass312.08
IUPAC Name2-[[1-(2-bromo-4-methylphenyl)piperidin-3-yl]amino]ethanol
SMILESCc1ccc(N2CCCC(NCCO)C2)c(Br)c1
InChIInChI=1S/C14H21BrN2O/c1-11-4-5-14(13(15)9-11)17-7-2-3-12(10-17)16-6-8-18/h4-5,9,12,16,18H,2-3,6-8,10H2,1H3
InChIKeyTUXSYUKJCOHHEC-UHFFFAOYSA-N
XLogP2.31
TPSA35.50 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.24
LogP ≤ 52.31
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

3-[[1-(2-bromo-4-methylphenyl)pyrrolidin-3-yl]amino]propanoic acid
CID 117004302
2-[[1-(2-methylphenyl)piperidin-3-yl]amino]ethanol
CID 117004950
2-[[1-(2,4,6-trimethylphenyl)piperidin-3-yl]amino]ethanol
CID 117004961
1-[1-(2-fluoro-5-methylphenyl)piperidin-3-yl]-3-(2-hydroxyethyl)urea
CID 111424850
1-(5-bromo-4-fluoro-2-methylphenyl)-N-propylpiperidin-3-amine
CID 107594230
1-(2,5-dimethylphenyl)-N-propylpyrrolidin-3-amine
CID 43314896
1-(2-bromo-4-chlorophenyl)-N-propan-2-ylpiperidin-3-amine
CID 81271882
2-[3-(2-hydroxyethyl)piperidin-1-yl]-5-methylbenzaldehyde
CID 114054274
1-(2-bromo-4-methylphenyl)-3-propyl-1,4-diazepane
CID 64944752
N-[3-(2-bromo-4-methylphenoxy)propyl]cyclopentanamine
CID 62598188
1-(4-bromo-3-fluorophenyl)-N-propylpiperidin-3-amine
CID 65437234
N'-[1-(2-bromo-4-methylphenyl)pyrrolidin-3-yl]-N'-methylethane-1,2-diamine
CID 117004393

Frequently Asked Questions

What is the IUPAC name of 2-[[1-(2-bromo-4-methylphenyl)piperidin-3-yl]amino]ethanol?
The IUPAC name of 2-[[1-(2-bromo-4-methylphenyl)piperidin-3-yl]amino]ethanol (CID 117004977) is 2-[[1-(2-bromo-4-methylphenyl)piperidin-3-yl]amino]ethanol.
What is the SMILES notation for 2-[[1-(2-bromo-4-methylphenyl)piperidin-3-yl]amino]ethanol?
The canonical SMILES for 2-[[1-(2-bromo-4-methylphenyl)piperidin-3-yl]amino]ethanol is Cc1ccc(N2CCCC(NCCO)C2)c(Br)c1.
What is the InChIKey of 2-[[1-(2-bromo-4-methylphenyl)piperidin-3-yl]amino]ethanol?
The InChIKey is TUXSYUKJCOHHEC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21BrN2O/c1-11-4-5-14(13(15)9-11)17-7-2-3-12(10-17)16-6-8-18/h4-5,9,12,16,18H,2-3,6-8,10H2,1H3.
What are the key properties of 2-[[1-(2-bromo-4-methylphenyl)piperidin-3-yl]amino]ethanol?
2-[[1-(2-bromo-4-methylphenyl)piperidin-3-yl]amino]ethanol has a molecular weight of 313.24 g/mol, XLogP of 2.31, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[1-(2-bromo-4-methylphenyl)piperidin-3-yl]amino]ethanol is sourced from PubChem (CID 117004977), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).