1-[(4-bromophenyl)methyl]-4-ethylpiperidine

C14H20BrN — CID 63456491

IUPAC1-[(4-bromophenyl)methyl]-4-ethylpiperidine
SMILESCCC1CCN(Cc2ccc(Br)cc2)CC1
InChIInChI=1S/C14H20BrN/c1-2-12-7-9-16(10-8-12)11-13-3-5-14(15)6-4-13/h3-6,12H,2,7-11H2,1H3
InChIKeySBUULYRVUMGYLU-UHFFFAOYSA-N
MW282.22 g/mol
LogP4.07
Rot. Bonds3

About 1-[(4-bromophenyl)methyl]-4-ethylpiperidine

1-[(4-bromophenyl)methyl]-4-ethylpiperidine (PubChem CID 63456491) has the molecular formula C14H20BrN and a molecular weight of 282.22 g/mol. Its IUPAC name is 1-[(4-bromophenyl)methyl]-4-ethylpiperidine.

Molecular Properties

Compound Name1-[(4-bromophenyl)methyl]-4-ethylpiperidine
PubChem CID63456491
Molecular FormulaC14H20BrN
Molecular Weight282.22 g/mol
Exact Mass281.08
IUPAC Name1-[(4-bromophenyl)methyl]-4-ethylpiperidine
SMILESCCC1CCN(Cc2ccc(Br)cc2)CC1
InChIInChI=1S/C14H20BrN/c1-2-12-7-9-16(10-8-12)11-13-3-5-14(15)6-4-13/h3-6,12H,2,7-11H2,1H3
InChIKeySBUULYRVUMGYLU-UHFFFAOYSA-N
XLogP4.07
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.22
LogP ≤ 54.07
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

4-ethyl-1-[(4-methylphenyl)methyl]piperidine
CID 144879966
4-bromo-1-[(4-bromophenyl)methyl]piperidine
CID 80680051
4-ethyl-1-[(4-methoxyphenyl)methyl]piperidine
CID 23381464
1,4,7,10-tetrakis[(4-bromophenyl)methyl]-1,4,7,10-tetrazacyclododecane
CID 71732809
[4-[(4-ethylpiperidin-1-yl)methyl]phenyl]boronic acid
CID 54971109
1-[1-[(4-bromophenyl)methyl]piperidin-4-yl]ethanol
CID 103657050
2-bromo-4-[(4-ethylpiperidin-1-yl)methyl]phenol
CID 82985669
1-[(4-bromophenyl)methyl]-N-methylpiperidin-4-amine;hydrochloride
CID 119923471
1-[4-[(4-ethylpiperidin-1-yl)methyl]phenyl]ethanone
CID 159274096
2-[1-[(4-bromophenyl)methyl]piperidin-4-yl]acetic acid
CID 79606346
[4-[(4-ethylazepan-1-yl)methyl]phenyl]methanol
CID 112631282
3-[1-[(4-bromophenyl)methyl]piperidin-4-yl]-2-methylpropan-1-amine
CID 83983268

Frequently Asked Questions

What is the IUPAC name of 1-[(4-bromophenyl)methyl]-4-ethylpiperidine?
The IUPAC name of 1-[(4-bromophenyl)methyl]-4-ethylpiperidine (CID 63456491) is 1-[(4-bromophenyl)methyl]-4-ethylpiperidine.
What is the SMILES notation for 1-[(4-bromophenyl)methyl]-4-ethylpiperidine?
The canonical SMILES for 1-[(4-bromophenyl)methyl]-4-ethylpiperidine is CCC1CCN(Cc2ccc(Br)cc2)CC1.
What is the InChIKey of 1-[(4-bromophenyl)methyl]-4-ethylpiperidine?
The InChIKey is SBUULYRVUMGYLU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20BrN/c1-2-12-7-9-16(10-8-12)11-13-3-5-14(15)6-4-13/h3-6,12H,2,7-11H2,1H3.
What are the key properties of 1-[(4-bromophenyl)methyl]-4-ethylpiperidine?
1-[(4-bromophenyl)methyl]-4-ethylpiperidine has a molecular weight of 282.22 g/mol, XLogP of 4.07, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(4-bromophenyl)methyl]-4-ethylpiperidine is sourced from PubChem (CID 63456491), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).