2-[1-[(2-amino-6-bromophenyl)methyl]piperidin-4-yl]oxyethanol

C14H21BrN2O2 — CID 82696390

IUPAC2-[1-[(2-amino-6-bromophenyl)methyl]piperidin-4-yl]oxyethanol
SMILESNc1cccc(Br)c1CN1CCC(OCCO)CC1
InChIInChI=1S/C14H21BrN2O2/c15-13-2-1-3-14(16)12(13)10-17-6-4-11(5-7-17)19-9-8-18/h1-3,11,18H,4-10,16H2
InChIKeyLQQLZTNQFHWBJH-UHFFFAOYSA-N
MW329.24 g/mol
LogP2.00
Rot. Bonds5

About 2-[1-[(2-amino-6-bromophenyl)methyl]piperidin-4-yl]oxyethanol

2-[1-[(2-amino-6-bromophenyl)methyl]piperidin-4-yl]oxyethanol (PubChem CID 82696390) has the molecular formula C14H21BrN2O2 and a molecular weight of 329.24 g/mol. Its IUPAC name is 2-[1-[(2-amino-6-bromophenyl)methyl]piperidin-4-yl]oxyethanol.

Molecular Properties

Compound Name2-[1-[(2-amino-6-bromophenyl)methyl]piperidin-4-yl]oxyethanol
PubChem CID82696390
Molecular FormulaC14H21BrN2O2
Molecular Weight329.24 g/mol
Exact Mass328.08
IUPAC Name2-[1-[(2-amino-6-bromophenyl)methyl]piperidin-4-yl]oxyethanol
SMILESNc1cccc(Br)c1CN1CCC(OCCO)CC1
InChIInChI=1S/C14H21BrN2O2/c15-13-2-1-3-14(16)12(13)10-17-6-4-11(5-7-17)19-9-8-18/h1-3,11,18H,4-10,16H2
InChIKeyLQQLZTNQFHWBJH-UHFFFAOYSA-N
XLogP2.00
TPSA58.72 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.24
LogP ≤ 52.00
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

2-[1-[(2,6-difluorophenyl)methyl]piperidin-4-yl]oxyethanol
CID 115883414
1-[(2-amino-6-bromophenyl)methyl]-N-methylpiperidine-4-carboxamide
CID 43575533
2-(azocan-1-ylmethyl)-3-bromoaniline
CID 43349679
2-(3,4,4a,5,6,7,8,8a-octahydro-1H-isoquinolin-2-ylmethyl)-3-bromoaniline
CID 43620149
2-[1-[(3-amino-4-chlorophenyl)methyl]piperidin-4-yl]oxyethanol
CID 82696145
1-[(2-amino-6-bromophenyl)methyl]-N,N-diethylpyrrolidin-3-amine
CID 55159357
2-bromo-3-[(4-ethoxypiperidin-1-yl)methyl]aniline
CID 114048479
2-[1-[(5-aminopyrazin-2-yl)methyl]piperidin-4-yl]oxyethanol
CID 103056754
2-[1-[(2-bromo-4-nitrophenyl)methyl]piperidin-4-yl]oxyethanol
CID 82685282
(2-bromo-6-fluorophenyl)-[4-(2-hydroxyethoxy)piperidin-1-yl]methanone
CID 115772825
3-bromo-2-[(4-pyrimidin-2-ylpiperazin-1-yl)methyl]aniline
CID 43349667
2-[4-(2-hydroxyethoxy)piperidin-1-yl]ethanol
CID 115771078

Frequently Asked Questions

What is the IUPAC name of 2-[1-[(2-amino-6-bromophenyl)methyl]piperidin-4-yl]oxyethanol?
The IUPAC name of 2-[1-[(2-amino-6-bromophenyl)methyl]piperidin-4-yl]oxyethanol (CID 82696390) is 2-[1-[(2-amino-6-bromophenyl)methyl]piperidin-4-yl]oxyethanol.
What is the SMILES notation for 2-[1-[(2-amino-6-bromophenyl)methyl]piperidin-4-yl]oxyethanol?
The canonical SMILES for 2-[1-[(2-amino-6-bromophenyl)methyl]piperidin-4-yl]oxyethanol is Nc1cccc(Br)c1CN1CCC(OCCO)CC1.
What is the InChIKey of 2-[1-[(2-amino-6-bromophenyl)methyl]piperidin-4-yl]oxyethanol?
The InChIKey is LQQLZTNQFHWBJH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21BrN2O2/c15-13-2-1-3-14(16)12(13)10-17-6-4-11(5-7-17)19-9-8-18/h1-3,11,18H,4-10,16H2.
What are the key properties of 2-[1-[(2-amino-6-bromophenyl)methyl]piperidin-4-yl]oxyethanol?
2-[1-[(2-amino-6-bromophenyl)methyl]piperidin-4-yl]oxyethanol has a molecular weight of 329.24 g/mol, XLogP of 2.00, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-[(2-amino-6-bromophenyl)methyl]piperidin-4-yl]oxyethanol is sourced from PubChem (CID 82696390), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).