4-bromo-N-[2-(4-ethylpiperidin-1-yl)ethyl]aniline

C15H23BrN2 — CID 63501719

IUPAC4-bromo-N-[2-(4-ethylpiperidin-1-yl)ethyl]aniline
SMILESCCC1CCN(CCNc2ccc(Br)cc2)CC1
InChIInChI=1S/C15H23BrN2/c1-2-13-7-10-18(11-8-13)12-9-17-15-5-3-14(16)4-6-15/h3-6,13,17H,2,7-12H2,1H3
InChIKeyNZHFRKZHDXRAGL-UHFFFAOYSA-N
MW311.27 g/mol
LogP3.98
Rot. Bonds5

About 4-bromo-N-[2-(4-ethylpiperidin-1-yl)ethyl]aniline

4-bromo-N-[2-(4-ethylpiperidin-1-yl)ethyl]aniline (PubChem CID 63501719) has the molecular formula C15H23BrN2 and a molecular weight of 311.27 g/mol. Its IUPAC name is 4-bromo-N-[2-(4-ethylpiperidin-1-yl)ethyl]aniline.

Molecular Properties

Compound Name4-bromo-N-[2-(4-ethylpiperidin-1-yl)ethyl]aniline
PubChem CID63501719
Molecular FormulaC15H23BrN2
Molecular Weight311.27 g/mol
Exact Mass310.10
IUPAC Name4-bromo-N-[2-(4-ethylpiperidin-1-yl)ethyl]aniline
SMILESCCC1CCN(CCNc2ccc(Br)cc2)CC1
InChIInChI=1S/C15H23BrN2/c1-2-13-7-10-18(11-8-13)12-9-17-15-5-3-14(16)4-6-15/h3-6,13,17H,2,7-12H2,1H3
InChIKeyNZHFRKZHDXRAGL-UHFFFAOYSA-N
XLogP3.98
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.27
LogP ≤ 53.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[2-(4-ethylpiperidin-1-yl)ethyl]-3-fluoroaniline
CID 62556361
4-bromo-N-[2-(4-propan-2-ylpiperazin-1-yl)ethyl]aniline
CID 62559865
1-[2-(4-bromophenoxy)ethyl]-4-ethylpiperidine
CID 63456489
1-[(4-bromophenyl)methyl]-4-ethylpiperidine
CID 63456491
4-chloro-N-[2-(4-propan-2-ylpiperidin-1-yl)ethyl]aniline
CID 103503461
N-[2-(3-ethylpiperidin-1-yl)ethyl]aniline
CID 60860775
N-[2-(4-ethylpiperazin-1-yl)ethyl]-4-fluoroaniline
CID 62575931
4-chloro-N-[2-[3-(methoxymethyl)pyrrolidin-1-yl]ethyl]aniline
CID 64583608
3-bromo-N-[2-(4-tert-butylpiperidin-1-yl)ethyl]aniline
CID 63502175
4-methyl-N-[2-(4-methylazepan-1-yl)ethyl]aniline
CID 63626139
N-[2-(4-ethoxypiperidin-1-yl)ethyl]aniline
CID 61216518
1-(6-bromo-1,2,3,4-tetrahydronaphthalen-2-yl)-4-[2-(4-ethylpiperidin-1-yl)ethyl]piperidine
CID 102359936

Frequently Asked Questions

What is the IUPAC name of 4-bromo-N-[2-(4-ethylpiperidin-1-yl)ethyl]aniline?
The IUPAC name of 4-bromo-N-[2-(4-ethylpiperidin-1-yl)ethyl]aniline (CID 63501719) is 4-bromo-N-[2-(4-ethylpiperidin-1-yl)ethyl]aniline.
What is the SMILES notation for 4-bromo-N-[2-(4-ethylpiperidin-1-yl)ethyl]aniline?
The canonical SMILES for 4-bromo-N-[2-(4-ethylpiperidin-1-yl)ethyl]aniline is CCC1CCN(CCNc2ccc(Br)cc2)CC1.
What is the InChIKey of 4-bromo-N-[2-(4-ethylpiperidin-1-yl)ethyl]aniline?
The InChIKey is NZHFRKZHDXRAGL-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23BrN2/c1-2-13-7-10-18(11-8-13)12-9-17-15-5-3-14(16)4-6-15/h3-6,13,17H,2,7-12H2,1H3.
What are the key properties of 4-bromo-N-[2-(4-ethylpiperidin-1-yl)ethyl]aniline?
4-bromo-N-[2-(4-ethylpiperidin-1-yl)ethyl]aniline has a molecular weight of 311.27 g/mol, XLogP of 3.98, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromo-N-[2-(4-ethylpiperidin-1-yl)ethyl]aniline is sourced from PubChem (CID 63501719), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).