2-(2-bromo-4-methoxyphenyl)-2-piperidin-1-ylethanamine

C14H21BrN2O — CID 112748975

IUPAC2-(2-bromo-4-methoxyphenyl)-2-piperidin-1-ylethanamine
SMILESCOc1ccc(C(CN)N2CCCCC2)c(Br)c1
InChIInChI=1S/C14H21BrN2O/c1-18-11-5-6-12(13(15)9-11)14(10-16)17-7-3-2-4-8-17/h5-6,9,14H,2-4,7-8,10,16H2,1H3
InChIKeyXBNSVPIPDQIHFJ-UHFFFAOYSA-N
MW313.24 g/mol
LogP2.94
Rot. Bonds4

About 2-(2-bromo-4-methoxyphenyl)-2-piperidin-1-ylethanamine

2-(2-bromo-4-methoxyphenyl)-2-piperidin-1-ylethanamine (PubChem CID 112748975) has the molecular formula C14H21BrN2O and a molecular weight of 313.24 g/mol. Its IUPAC name is 2-(2-bromo-4-methoxyphenyl)-2-piperidin-1-ylethanamine.

Molecular Properties

Compound Name2-(2-bromo-4-methoxyphenyl)-2-piperidin-1-ylethanamine
PubChem CID112748975
Molecular FormulaC14H21BrN2O
Molecular Weight313.24 g/mol
Exact Mass312.08
IUPAC Name2-(2-bromo-4-methoxyphenyl)-2-piperidin-1-ylethanamine
SMILESCOc1ccc(C(CN)N2CCCCC2)c(Br)c1
InChIInChI=1S/C14H21BrN2O/c1-18-11-5-6-12(13(15)9-11)14(10-16)17-7-3-2-4-8-17/h5-6,9,14H,2-4,7-8,10,16H2,1H3
InChIKeyXBNSVPIPDQIHFJ-UHFFFAOYSA-N
XLogP2.94
TPSA38.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.24
LogP ≤ 52.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(2-bromo-4-methoxyphenyl)ethane-1,2-diamine
CID 126973068
2-(2,4-dimethoxyphenyl)-2-morpholin-4-ylethanamine
CID 16642914
2-(2-methoxy-4,5-dimethylphenyl)-2-piperidin-1-ylethanamine
CID 82302971
2-(2-chloro-3,4-dimethoxyphenyl)-2-piperidin-1-ylethanamine
CID 63631314
2-[2-amino-1-(4-ethylpiperazin-1-yl)ethyl]-5-methoxyphenol
CID 82043681
2-(2-methoxy-5-methylphenyl)-2-pyrrolidin-1-ylethanamine
CID 82290904
4-(2-amino-1-pyrrolidin-1-ylethyl)-2-bromo-6-methoxyphenol
CID 16792754
2-(2-bromo-4-chlorophenyl)-2-(3-methoxy-3-methylpiperidin-1-yl)ethanamine
CID 107391346
1-(2-bromo-4-methoxyphenyl)ethanamine;hydrochloride
CID 122360281
(2R)-2-(azepan-1-yl)-2-(3,4-dimethoxyphenyl)ethanamine
CID 9161144
2-(2-amino-1-piperidin-1-ylethyl)-6-methoxyphenol
CID 82041916
2-(azocan-1-yl)-2-(4-chloro-2-fluorophenyl)ethanamine
CID 114842840

Frequently Asked Questions

What is the IUPAC name of 2-(2-bromo-4-methoxyphenyl)-2-piperidin-1-ylethanamine?
The IUPAC name of 2-(2-bromo-4-methoxyphenyl)-2-piperidin-1-ylethanamine (CID 112748975) is 2-(2-bromo-4-methoxyphenyl)-2-piperidin-1-ylethanamine.
What is the SMILES notation for 2-(2-bromo-4-methoxyphenyl)-2-piperidin-1-ylethanamine?
The canonical SMILES for 2-(2-bromo-4-methoxyphenyl)-2-piperidin-1-ylethanamine is COc1ccc(C(CN)N2CCCCC2)c(Br)c1.
What is the InChIKey of 2-(2-bromo-4-methoxyphenyl)-2-piperidin-1-ylethanamine?
The InChIKey is XBNSVPIPDQIHFJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21BrN2O/c1-18-11-5-6-12(13(15)9-11)14(10-16)17-7-3-2-4-8-17/h5-6,9,14H,2-4,7-8,10,16H2,1H3.
What are the key properties of 2-(2-bromo-4-methoxyphenyl)-2-piperidin-1-ylethanamine?
2-(2-bromo-4-methoxyphenyl)-2-piperidin-1-ylethanamine has a molecular weight of 313.24 g/mol, XLogP of 2.94, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-bromo-4-methoxyphenyl)-2-piperidin-1-ylethanamine is sourced from PubChem (CID 112748975), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).