1-[5-bromo-2-(bromomethyl)phenyl]-4-ethylpiperidine

C14H19Br2N — CID 107081123

IUPAC1-[5-bromo-2-(bromomethyl)phenyl]-4-ethylpiperidine
SMILESCCC1CCN(c2cc(Br)ccc2CBr)CC1
InChIInChI=1S/C14H19Br2N/c1-2-11-5-7-17(8-6-11)14-9-13(16)4-3-12(14)10-15/h3-4,9,11H,2,5-8,10H2,1H3
InChIKeyKTPGCIAYXSJLDV-UHFFFAOYSA-N
MW361.12 g/mol
LogP4.97
Rot. Bonds3

About 1-[5-bromo-2-(bromomethyl)phenyl]-4-ethylpiperidine

1-[5-bromo-2-(bromomethyl)phenyl]-4-ethylpiperidine (PubChem CID 107081123) has the molecular formula C14H19Br2N and a molecular weight of 361.12 g/mol. Its IUPAC name is 1-[5-bromo-2-(bromomethyl)phenyl]-4-ethylpiperidine.

Molecular Properties

Compound Name1-[5-bromo-2-(bromomethyl)phenyl]-4-ethylpiperidine
PubChem CID107081123
Molecular FormulaC14H19Br2N
Molecular Weight361.12 g/mol
Exact Mass358.99
IUPAC Name1-[5-bromo-2-(bromomethyl)phenyl]-4-ethylpiperidine
SMILESCCC1CCN(c2cc(Br)ccc2CBr)CC1
InChIInChI=1S/C14H19Br2N/c1-2-11-5-7-17(8-6-11)14-9-13(16)4-3-12(14)10-15/h3-4,9,11H,2,5-8,10H2,1H3
InChIKeyKTPGCIAYXSJLDV-UHFFFAOYSA-N
XLogP4.97
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500361.12
LogP ≤ 54.97
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

1-[5-bromo-2-(bromomethyl)phenyl]-4-methylpiperazine
CID 107078956
5-bromo-2-(4-ethylpiperidin-1-yl)benzonitrile
CID 114890510
2-[4-bromo-2-(4-propylpiperidin-1-yl)phenyl]ethanamine
CID 63782755
1-[1-[2-(aminomethyl)-5-bromophenyl]piperidin-4-yl]-N,N-dimethylmethanamine
CID 54986174
N-[[4-bromo-2-[4-(methoxymethyl)piperidin-1-yl]phenyl]methyl]ethanamine
CID 63972340
[1-[5-bromo-2-[(propan-2-ylamino)methyl]phenyl]piperidin-4-yl]methanol
CID 43281531
(2R,6S)-4-[5-bromo-2-(bromomethyl)phenyl]-2,6-dimethylmorpholine
CID 107085389
1-[5-bromo-2-(bromomethyl)phenyl]-2-ethyl-5-methylpyrrolidine
CID 107084963
1-[4-bromo-2-(4-propan-2-ylpiperidin-1-yl)phenyl]butan-2-amine
CID 103503911
[4-chloro-2-(4-ethylpiperidin-1-yl)phenyl]methanol
CID 114845335
1-[5-bromo-2-(hydroxymethyl)phenyl]piperidin-4-ol
CID 43365039
1-[5-bromo-2-(3-ethylpyrrolidin-1-yl)phenyl]propan-2-amine
CID 114061978

Frequently Asked Questions

What is the IUPAC name of 1-[5-bromo-2-(bromomethyl)phenyl]-4-ethylpiperidine?
The IUPAC name of 1-[5-bromo-2-(bromomethyl)phenyl]-4-ethylpiperidine (CID 107081123) is 1-[5-bromo-2-(bromomethyl)phenyl]-4-ethylpiperidine.
What is the SMILES notation for 1-[5-bromo-2-(bromomethyl)phenyl]-4-ethylpiperidine?
The canonical SMILES for 1-[5-bromo-2-(bromomethyl)phenyl]-4-ethylpiperidine is CCC1CCN(c2cc(Br)ccc2CBr)CC1.
What is the InChIKey of 1-[5-bromo-2-(bromomethyl)phenyl]-4-ethylpiperidine?
The InChIKey is KTPGCIAYXSJLDV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19Br2N/c1-2-11-5-7-17(8-6-11)14-9-13(16)4-3-12(14)10-15/h3-4,9,11H,2,5-8,10H2,1H3.
What are the key properties of 1-[5-bromo-2-(bromomethyl)phenyl]-4-ethylpiperidine?
1-[5-bromo-2-(bromomethyl)phenyl]-4-ethylpiperidine has a molecular weight of 361.12 g/mol, XLogP of 4.97, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[5-bromo-2-(bromomethyl)phenyl]-4-ethylpiperidine is sourced from PubChem (CID 107081123), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).