(2-bromophenyl)methyl 3-ethylpiperidine-3-carboxylate

C15H20BrNO2 — CID 82824680

IUPAC(2-bromophenyl)methyl 3-ethylpiperidine-3-carboxylate
SMILESCCC1(C(=O)OCc2ccccc2Br)CCCNC1
InChIInChI=1S/C15H20BrNO2/c1-2-15(8-5-9-17-11-15)14(18)19-10-12-6-3-4-7-13(12)16/h3-4,6-7,17H,2,5,8-11H2,1H3
InChIKeySIZXWXYKFPLOLX-UHFFFAOYSA-N
MW326.23 g/mol
LogP3.27
Rot. Bonds4

About (2-bromophenyl)methyl 3-ethylpiperidine-3-carboxylate

(2-bromophenyl)methyl 3-ethylpiperidine-3-carboxylate (PubChem CID 82824680) has the molecular formula C15H20BrNO2 and a molecular weight of 326.23 g/mol. Its IUPAC name is (2-bromophenyl)methyl 3-ethylpiperidine-3-carboxylate.

Molecular Properties

Compound Name(2-bromophenyl)methyl 3-ethylpiperidine-3-carboxylate
PubChem CID82824680
Molecular FormulaC15H20BrNO2
Molecular Weight326.23 g/mol
Exact Mass325.07
IUPAC Name(2-bromophenyl)methyl 3-ethylpiperidine-3-carboxylate
SMILESCCC1(C(=O)OCc2ccccc2Br)CCCNC1
InChIInChI=1S/C15H20BrNO2/c1-2-15(8-5-9-17-11-15)14(18)19-10-12-6-3-4-7-13(12)16/h3-4,6-7,17H,2,5,8-11H2,1H3
InChIKeySIZXWXYKFPLOLX-UHFFFAOYSA-N
XLogP3.27
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.23
LogP ≤ 53.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(2-bromophenyl)methyl 4-propylpiperidine-4-carboxylate
CID 82824789
(2-bromophenyl)methyl 1-(aminomethyl)cyclohexane-1-carboxylate
CID 82823967
benzyl 3-ethylpyrrolidine-3-carboxylate
CID 63145292
ethyl (3R)-3-[(2-methylphenyl)methyl]piperidine-3-carboxylate
CID 95213169
ethyl 3-[(2-methylphenyl)methyl]piperidine-3-carboxylate
CID 56753093
N-[(2-bromophenyl)methyl]-3-ethylpyrrolidine-3-carboxamide
CID 63141717
2-ethoxyethyl 3-ethylpiperidine-3-carboxylate
CID 63137981
2-methylpropyl 3-ethylpiperidine-3-carboxylate
CID 63137680
N-(2,6-diethylphenyl)-3-ethylpiperidine-3-carboxamide
CID 63132509
ethyl (3S)-3-benzylpiperidine-3-carboxylate
CID 10800527
N-[1-(2-bromophenyl)ethyl]-3-ethylpiperidine-3-carboxamide
CID 63130128
2-(3-bromothiophen-2-yl)-1-(3-ethylpiperidin-3-yl)ethanone
CID 116568661

Frequently Asked Questions

What is the IUPAC name of (2-bromophenyl)methyl 3-ethylpiperidine-3-carboxylate?
The IUPAC name of (2-bromophenyl)methyl 3-ethylpiperidine-3-carboxylate (CID 82824680) is (2-bromophenyl)methyl 3-ethylpiperidine-3-carboxylate.
What is the SMILES notation for (2-bromophenyl)methyl 3-ethylpiperidine-3-carboxylate?
The canonical SMILES for (2-bromophenyl)methyl 3-ethylpiperidine-3-carboxylate is CCC1(C(=O)OCc2ccccc2Br)CCCNC1.
What is the InChIKey of (2-bromophenyl)methyl 3-ethylpiperidine-3-carboxylate?
The InChIKey is SIZXWXYKFPLOLX-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20BrNO2/c1-2-15(8-5-9-17-11-15)14(18)19-10-12-6-3-4-7-13(12)16/h3-4,6-7,17H,2,5,8-11H2,1H3.
What are the key properties of (2-bromophenyl)methyl 3-ethylpiperidine-3-carboxylate?
(2-bromophenyl)methyl 3-ethylpiperidine-3-carboxylate has a molecular weight of 326.23 g/mol, XLogP of 3.27, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2-bromophenyl)methyl 3-ethylpiperidine-3-carboxylate is sourced from PubChem (CID 82824680), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).